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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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