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

Systemtic Name: (E)-3-(4-bromophenyl)-N-[(4-nitro-2-oxidanyl-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-[(2-hydroxy-4-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[(2-hydroxy-4-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-[(2-hydroxy-4-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-[(2-hydroxy-4-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C16H12BrN3O4S MolecularWeight: 422.25318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H12BrN3O4S/c17-11-4-1-10(2-5-11)3-8-15(22)19-16(25)18-13-7-6-12(20(23)24)9-14(13)21/h1-9,21H,(H2,18,19,22,25)/b8-3+