N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(3-ethyl-5,6-dimethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O3S2 MolecularWeight: 416.55686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C=C(C(=C2)C)C)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S2/c1-4-23-18-13-15(2)16(3)14-19(18)27-21(23)22-20(24)11-8-12-28(25,26)17-9-6-5-7-10-17/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3