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

Systemtic Name: (E)-N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]-3-(4-chloranyl-3-nitro-phenyl)prop-2-enamide Openeye Name: (E)-N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]-3-(4-chloro-3-nitro-phenyl)prop-2-enamide CAS Name: (E)-N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]-3-(4-chloro-3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-3-(4-chloro-3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]-3-(4-chloro-3-nitro-phenyl)acrylamide Formula: C17H13BrClN3O4S MolecularWeight: 470.72482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13BrClN3O4S/c1-26-15-6-4-11(9-12(15)18)20-17(27)21-16(23)7-3-10-2-5-13(19)14(8-10)22(24)25/h2-9H,1H3,(H2,20,21,23,27)/b7-3+