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

Systemtic Name: 1-[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-1-methyl-3-(4-methylphenyl)thiourea Openeye Name: 1-[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-1-methyl-3-(p-tolyl)thiourea CAS Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methyl-3-(4-methylphenyl)thiourea IUPAC Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-1-methyl-3-(4-methylphenyl)thiourea Traditional Name: 1-[1-(2-chlorophenyl)-2-keto-cyclohexyl]-1-methyl-3-(p-tolyl)thiourea Formula: C21H23ClN2OS MolecularWeight: 386.93812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)N(C)C2(CCCCC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)N(C)C2(CCCCC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2OS/c1-15-10-12-16(13-11-15)23-20(26)24(2)21(14-6-5-9-19(21)25)17-7-3-4-8-18(17)22/h3-4,7-8,10-13H,5-6,9,14H2,1-2H3,(H,23,26)