(E)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(4-methoxyphenyl)prop-2-enamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H14BrN3O4S/c1-25-13-6-2-11(3-7-13)4-9-16(22)20-17(26)19-15-8-5-12(21(23)24)10-14(15)18/h2-10H,1H3,(H2,19,20,22,26)/b9-4+