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

Systemtic Name: 4-(phenylsulfonyl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(3,4,6-trimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H22N2O3S2 MolecularWeight: 402.53028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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