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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

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

InChI

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