Viewing Compound With Structures

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Gene Compound Experiment Study Pathway Assay Report Bug Request Feature

Compound Report Overview

Compound Name: THIOTHIXENE
Compound Identifier: 700881
Mol Structure 2D: 700881
Molecular Weight: 444
Formula: C23 H29 N3 O2 S2
Development Status: US FDA Approved
SMILES: CN(C)S(=O)(=O)c1ccc2Sc3ccccc3C(=CCCN4CCN(C)CC4)c2c1
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222232D 0 0.00000 0.00000 0^^ 30 33 0 0 0 999 V2000^ 7.3417 -7.4250 0.0000 S 0 0 3 0 0 0 0 0 0^ 10.2042 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.4792 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.2042 -9.0792 0.0000 S 0 0 0 0 0 0 0 0 0^ 8.0667 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.4792 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.9125 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.7792 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.9125 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.6292 -7.0125 0.0000 N 0 0 3 0 0 0 0 0 0^ 7.7542 -6.7042 0.0000 O 0 0 0 0 0 0 0 0 0^ 6.9292 -8.1375 0.0000 O 0 0 0 0 0 0 0 0 0^ 10.2042 -4.9542 0.0000 N 0 0 3 0 0 0 0 0 0^ 11.6292 -4.1292 0.0000 N 0 0 3 0 0 0 0 0 0^ 10.2042 -6.5917 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.0667 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 8.7792 -9.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.9125 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.6292 -4.9542 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.2042 -4.1292 0.0000 C 0 0 0 0 0 0 0 0 0^ 10.9125 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.4792 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 9.4792 -5.3667 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.6292 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ 11.6292 -9.0792 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.3542 -3.7167 0.0000 C 0 0 0 0 0 0 0 0 0^ 5.9167 -7.4250 0.0000 C 0 0 0 0 0 0 0 0 0^ 6.6292 -6.1917 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.3542 -7.8417 0.0000 C 0 0 0 0 0 0 0 0 0^ 12.3542 -8.6667 0.0000 C 0 0 0 0 0 0 0 0 0^ 2 3 1 0 0 0^ 3 8 2 0 0 0^ 4 6 1 0 0 0^ 5 1 1 0 0 0^ 6 17 2 0 0 0^ 7 2 1 0 0 0^ 8 5 1 0 0 0^ 9 4 1 0 0 0^ 10 1 1 0 0 0^ 11 1 2 0 0 0^ 12 1 2 0 0 0^ 13 23 1 0 0 0^ 14 19 1 0 0 0^ 15 2 2 0 0 0^ 16 5 2 0 0 0^ 17 16 1 0 0 0^ 18 20 1 0 0 0^ 19 21 1 0 0 0^ 20 13 1 0 0 0^ 21 13 1 0 0 0^ 22 15 1 0 0 0^ 23 22 1 0 0 0^ 24 7 1 0 0 0^ 25 9 1 0 0 0^ 26 14 1 0 0 0^ 27 10 1 0 0 0^ 28 10 1 0 0 0^ 29 24 2 0 0 0^ 30 25 2 0 0 0^ 6 3 1 0 0 0^ 9 7 2 0 0 0^ 30 29 1 0 0 0^ 14 18 1 0 0 0^M END^^
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