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

Systemtic Name: (E)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(4-methoxy-2-nitro-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(4-methoxy-2-nitroanilino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(4-methoxy-2-nitrophenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(4-methoxy-2-nitro-phenyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H14N4O6S MolecularWeight: 402.38126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O6S/c1-27-13-6-7-14(15(10-13)21(25)26)18-17(28)19-16(22)8-5-11-3-2-4-12(9-11)20(23)24/h2-10H,1H3,(H2,18,19,22,28)/b8-5+