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

Systemtic Name: (E)-N-[(2-bromanyl-4-nitro-phenyl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-N-[(2-bromo-4-nitro-phenyl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-N-[(2-bromo-4-nitroanilino)-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[(2-bromo-4-nitro-phenyl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C19H18BrN3O3S MolecularWeight: 448.33352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3S/c1-12(2)14-6-3-13(4-7-14)5-10-18(24)22-19(27)21-17-9-8-15(23(25)26)11-16(17)20/h3-12H,1-2H3,(H2,21,22,24,27)/b10-5+