Viewing Compound With Structures

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Compound Report Overview

Compound Name: THIHEXINOL METHYLBROMIDE
Compound Identifier: 705011
Mol Structure 2D: 705011
Molecular Weight: 416
Formula: C18 H26 N O S2 . Br
Development Status: Preclinical
SMILES: [Br-].C[N+](C)(C)C1CCC(CC1)C(O)(c2cccs2)c3cccs3
Activities CAS Curations Identifiers Literature Properties Similarities SMILES Structures Synonyms Targets
Compound Structures
>^ ISISHOST06100222362D 0 0.00000 0.00000 0^^ 23 24 0 0 0 999 V2000^ -2.6833 -0.0125 0.0000 C 0 0 3 0 0 0 0 0 0^ -2.6833 -1.4167 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.6833 1.4208 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9167 -0.0125 0.0000 N 0 3 3 0 0 0 0 0 0^ -3.9083 2.1000 0.0000 S 0 0 0 0 0 0 0 0 0^ -3.9083 -2.1000 0.0000 S 0 0 0 0 0 0 0 0 0^ -1.2833 -0.0125 0.0000 C 0 0 3 0 0 0 0 0 0^ 1.5167 -0.0125 0.0000 C 0 0 3 0 0 0 0 0 0^ -1.6833 2.3458 0.0000 C 0 0 0 0 0 0 0 0 0^ -1.6833 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6000 -3.4625 0.0000 C 0 0 0 0 0 0 0 0 0^ -3.6000 3.4708 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2708 -3.5667 0.0000 C 0 0 0 0 0 0 0 0 0^ -2.2708 3.5708 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5750 -1.1542 0.0000 C 0 0 0 0 0 0 0 0 0^ -0.5958 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8375 -1.1750 0.0000 C 0 0 0 0 0 0 0 0 0^ 0.8042 1.2125 0.0000 C 0 0 0 0 0 0 0 0 0^ -4.0833 -0.0125 0.0000 O 0 0 0 0 0 0 0 0 0^ 2.9167 -1.4500 0.0000 C 0 0 0 0 0 0 0 0 0^ 2.9167 1.3833 0.0000 C 0 0 0 0 0 0 0 0 0^ 4.3417 -0.0125 0.0000 C 0 0 0 0 0 0 0 0 0^ 1.1292 2.5458 0.0000 Br 0 5 0 0 0 0 0 0 0^ 2 1 1 0 0 0^ 3 1 1 0 0 0^ 4 8 1 0 0 0^ 5 3 1 0 0 0^ 6 2 1 0 0 0^ 7 1 1 0 0 0^ 8 18 1 0 0 0^ 9 3 2 0 0 0^ 10 2 2 0 0 0^ 11 6 1 0 0 0^ 12 5 1 0 0 0^ 13 10 1 0 0 0^ 14 9 1 0 0 0^ 15 7 1 0 0 0^ 16 7 1 0 0 0^ 17 15 1 0 0 0^ 18 16 1 0 0 0^ 19 1 1 0 0 0^ 20 4 1 0 0 0^ 21 4 1 0 0 0^ 22 4 1 0 0 0^ 8 17 1 0 0 0^ 12 14 2 0 0 0^ 11 13 2 0 0 0^M CHG 2 4 1 23 -1^M END^^
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