1-[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-1-methyl-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-1-methyl-3-(4-nitrophenyl)thiourea Openeye Name: 1-[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-1-methyl-3-(4-nitrophenyl)thiourea CAS Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methyl-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methyl-3-(4-nitrophenyl)thiourea Traditional Name: 1-[1-(2-chlorophenyl)-2-keto-cyclohexyl]-1-methyl-3-(4-nitrophenyl)thiourea Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-23(19(28)22-14-9-11-15(12-10-14)24(26)27)20(13-5-4-8-18(20)25)16-6-2-3-7-17(16)21/h2-3,6-7,9-12H,4-5,8,13H2,1H3,(H,22,28)