(E)-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide

Systemtic Name: (E)-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Openeye Name: (E)-N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide CAS Name: (E)-N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3-(4-chlorophenyl)-2-propenamide IUPAC Name: (E)-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3-(4-chlorophenyl)prop-2-enamide Traditional Name: (E)-N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3-(4-chlorophenyl)acrylamide Formula: C17H13Cl2N3O3S MolecularWeight: 410.27442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=S)NC(=O)C=CC2=CC=C(C=C2)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=S)NC(=O)/C=C/C2=CC=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

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