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

Systemtic Name: (E)-N-[(5-chloranyl-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Openeye Name: (E)-N-[(5-chloro-2-methyl-4-nitro-phenyl)carbamothioyl]-3-(4-isopropylphenyl)prop-2-enamide CAS Name: (E)-N-[(5-chloro-2-methyl-4-nitroanilino)-sulfanylidenemethyl]-3-(4-propan-2-ylphenyl)-2-propenamide IUPAC Name: (E)-N-[(5-chloro-2-methyl-4-nitrophenyl)carbamothioyl]-3-(4-propan-2-ylphenyl)prop-2-enamide Traditional Name: (E)-N-[(5-chloro-2-methyl-4-nitro-phenyl)thiocarbamoyl]-3-p-cumenyl-acrylamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-12(2)15-7-4-14(5-8-15)6-9-19(25)23-20(28)22-17-11-16(21)18(24(26)27)10-13(17)3/h4-12H,1-3H3,(H2,22,23,25,28)/b9-6+