4-(phenylsulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)butanamide

Systemtic Name: 4-(phenylsulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(3,4,7-trimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)C)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2C

Isomeric SMILES

CC1=C2C(=C(C=C1)C)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2C

InChI

InChI=1S/C20H22N2O3S2/c1-14-11-12-15(2)19-18(14)22(3)20(26-19)21-17(23)10-7-13-27(24,25)16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13H2,1-3H3