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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(3-oxidanylidene-1,2-benzothiazol-2-yl)butanamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-(3-oxo-1,2-benzothiazol-2-yl)butanamide Traditional Name: 4-(3-keto-1,2-benzothiazol-2-yl)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C19H17N3O4S3 MolecularWeight: 447.55098

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4S3

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCCN3C(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C19H17N3O4S3/c1-29(25,26)12-8-9-14-16(11-12)27-19(20-14)21-17(23)7-4-10-22-18(24)13-5-2-3-6-15(13)28-22/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,20,21,23)