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

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(1,3-benzothiazol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(1,3-benzothiazol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(1,3-benzothiazol-2-yl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-(1,3-benzothiazol-2-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C19H17N3O3S3 MolecularWeight: 431.55158

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O3S3/c1-28(24,25)12-9-10-14-16(11-12)27-19(21-14)22-17(23)7-4-8-18-20-13-5-2-3-6-15(13)26-18/h2-3,5-6,9-11H,4,7-8H2,1H3,(H,21,22,23)