N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C19H20N2O3S2 MolecularWeight: 388.5037

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)S2)C

InChI

InChI=1S/C19H20N2O3S2/c1-14-10-11-16-17(13-14)25-19(21(16)2)20-18(22)9-6-12-26(23,24)15-7-4-3-5-8-15/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3