(E)-3-(4-methoxyphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methoxyphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-(4-methoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-(4-methoxyphenyl)acrylamide Formula: C17H15N3O5S MolecularWeight: 373.3831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H15N3O5S/c1-25-13-6-2-11(3-7-13)4-9-16(22)19-17(26)18-14-10-12(20(23)24)5-8-15(14)21/h2-10,21H,1H3,(H2,18,19,22,26)/b9-4+