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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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