4-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide

Systemtic Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(1H-benzimidazol-2-ylthio)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(1H-benzimidazol-2-ylsulfanyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(1H-benzimidazol-2-ylthio)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C19H18N4O3S3 MolecularWeight: 446.56622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C19H18N4O3S3/c1-29(25,26)12-8-9-15-16(11-12)28-19(22-15)23-17(24)7-4-10-27-18-20-13-5-2-3-6-14(13)21-18/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,21)(H,22,23,24)