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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14ClN3O4S/c1-25-15-10-13(21(23)24)7-8-14(15)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+