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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2CC

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)N2CC

InChI

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