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

Systemtic Name: 1-[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-1-methyl-3-phenethyl-thiourea Openeye Name: 1-[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-1-methyl-3-phenethyl-thiourea CAS Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methyl-3-phenethylthiourea IUPAC Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methyl-3-phenethylthiourea Traditional Name: 1-[1-(2-chlorophenyl)-2-keto-cyclohexyl]-1-methyl-3-phenethyl-thiourea Formula: C22H25ClN2OS MolecularWeight: 400.9647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCC1=CC=CC=C1)C2(CCCCC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C(=S)NCCC1=CC=CC=C1)C2(CCCCC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H25ClN2OS/c1-25(21(27)24-16-14-17-9-3-2-4-10-17)22(15-8-7-13-20(22)26)18-11-5-6-12-19(18)23/h2-6,9-12H,7-8,13-16H2,1H3,(H,24,27)