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

Systemtic Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]prop-2-enamide Openeye Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methyl-4-nitro-phenyl)carbamothioyl]prop-2-enamide CAS Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methyl-4-nitroanilino)-sulfanylidenemethyl]-2-propenamide IUPAC Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methyl-4-nitrophenyl)carbamothioyl]prop-2-enamide Traditional Name: (E)-3-(2,4-dichlorophenyl)-N-[(2-methyl-4-nitro-phenyl)thiocarbamoyl]acrylamide Formula: C17H13Cl2N3O3S MolecularWeight: 410.27442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13Cl2N3O3S/c1-10-8-13(22(24)25)5-6-15(10)20-17(26)21-16(23)7-3-11-2-4-12(18)9-14(11)19/h2-9H,1H3,(H2,20,21,23,26)/b7-3+