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

Systemtic Name: (E)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Openeye Name: (E)-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide CAS Name: (E)-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-(4-ethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-(4-ethoxyphenyl)prop-2-enamide Traditional Name: (E)-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-p-phenetyl-acrylamide Formula: C18H16BrN3O4S MolecularWeight: 450.30634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H16BrN3O4S/c1-2-26-14-7-3-12(4-8-14)5-10-17(23)21-18(27)20-16-9-6-13(22(24)25)11-15(16)19/h3-11H,2H2,1H3,(H2,20,21,23,27)/b10-5+