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

Systemtic Name: (E)-3-(2-chlorophenyl)-N-[(5-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2-chlorophenyl)-N-[(2-hydroxy-5-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2-chlorophenyl)-N-[(2-hydroxy-5-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2-chlorophenyl)-N-[(2-hydroxy-5-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C16H12ClN3O4S MolecularWeight: 377.80218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12ClN3O4S/c17-12-4-2-1-3-10(12)5-8-15(22)19-16(25)18-13-9-11(20(23)24)6-7-14(13)21/h1-9,21H,(H2,18,19,22,25)/b8-5+