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

Systemtic Name: (E)-N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]-3-(3-nitrophenyl)acrylamide Formula: C17H14BrN3O4S MolecularWeight: 436.27976

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O4S/c1-25-15-7-6-12(10-14(15)18)19-17(26)20-16(22)8-5-11-3-2-4-13(9-11)21(23)24/h2-10H,1H3,(H2,19,20,22,26)/b8-5+