(E)-3-(4-chlorophenyl)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]prop-2-enamide

Systemtic Name: (E)-3-(4-chlorophenyl)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(4-chlorophenyl)-N-[(4-methyl-3-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(4-chlorophenyl)-N-[(4-methyl-3-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(4-chlorophenyl)-N-[(4-methyl-3-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(4-chlorophenyl)-N-[(4-methyl-3-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C17H14ClN3O3S MolecularWeight: 375.82936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN3O3S/c1-11-2-8-14(10-15(11)21(23)24)19-17(25)20-16(22)9-5-12-3-6-13(18)7-4-12/h2-10H,1H3,(H2,19,20,22,25)/b9-5+