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

Systemtic Name: (E)-N-[(5-bromanyl-2-oxidanyl-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(5-bromo-2-hydroxy-phenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(5-bromo-2-hydroxyanilino)-sulfanylidenemethyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(5-bromo-2-hydroxyphenyl)carbamothioyl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(5-bromo-2-hydroxy-phenyl)thiocarbamoyl]-3-(4-nitrophenyl)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=CC(=C2)Br)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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