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

Systemtic Name: (E)-3-(4-methylphenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-3-(4-methylphenyl)-2-propenamide IUPAC Name: (E)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]-3-(4-methylphenyl)prop-2-enamide Traditional Name: (E)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]-3-(p-tolyl)acrylamide Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C17H15N3O4S/c1-11-2-4-12(5-3-11)6-9-16(22)19-17(25)18-14-10-13(20(23)24)7-8-15(14)21/h2-10,21H,1H3,(H2,18,19,22,25)/b9-6+