N-(2-methoxy-5-nitro-phenyl)-3-oxidanylidene-3-phenyl-2-(phenylsulfonyl)propanethioamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-3-oxidanylidene-3-phenyl-2-(phenylsulfonyl)propanethioamide Openeye Name: 2-(benzenesulfonyl)-N-(2-methoxy-5-nitro-phenyl)-3-oxo-3-phenyl-propanethioamide CAS Name: 2-(benzenesulfonyl)-N-(2-methoxy-5-nitrophenyl)-3-oxo-3-phenylpropanethioamide IUPAC Name: 2-(benzenesulfonyl)-N-(2-methoxy-5-nitrophenyl)-3-oxo-3-phenylpropanethioamide Traditional Name: 2-besyl-3-keto-N-(2-methoxy-5-nitro-phenyl)-3-phenyl-thiopropionamide Formula: C22H18N2O6S2 MolecularWeight: 470.51812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)C(C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)C(C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O6S2/c1-30-19-13-12-16(24(26)27)14-18(19)23-22(31)21(20(25)15-8-4-2-5-9-15)32(28,29)17-10-6-3-7-11-17/h2-14,21H,1H3,(H,23,31)