(E)-3-(4-chlorophenyl)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C17H14ClN3O4S MolecularWeight: 391.82876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O4S/c1-25-13-7-8-14(15(10-13)21(23)24)19-17(26)20-16(22)9-4-11-2-5-12(18)6-3-11/h2-10H,1H3,(H2,19,20,22,26)/b9-4+