3-(2-chloranyl-5-nitro-phenyl)-1-[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-1-methyl-thiourea

Systemtic Name: 3-(2-chloranyl-5-nitro-phenyl)-1-[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-1-methyl-thiourea Openeye Name: 3-(2-chloro-5-nitro-phenyl)-1-[(1S)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-1-methyl-thiourea CAS Name: 3-(2-chloro-5-nitrophenyl)-1-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methylthiourea IUPAC Name: 3-(2-chloro-5-nitrophenyl)-1-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methylthiourea Traditional Name: 3-(2-chloro-5-nitro-phenyl)-1-[(1S)-1-(2-chlorophenyl)-2-keto-cyclohexyl]-1-methyl-thiourea Formula: C20H19Cl2N3O3S MolecularWeight: 452.35416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2(CCCCC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)[C@@]2(CCCCC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H19Cl2N3O3S/c1-24(19(29)23-17-12-13(25(27)28)9-10-16(17)22)20(11-5-4-8-18(20)26)14-6-2-3-7-15(14)21/h2-3,6-7,9-10,12H,4-5,8,11H2,1H3,(H,23,29)/t20-/m0/s1