N-(4-ethyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2C

InChI

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