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

Systemtic Name: 1-[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-3-(3,4-dimethylphenyl)-1-methyl-thiourea Openeye Name: 1-[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-3-(3,4-dimethylphenyl)-1-methyl-thiourea CAS Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-(3,4-dimethylphenyl)-1-methylthiourea IUPAC Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-(3,4-dimethylphenyl)-1-methylthiourea Traditional Name: 1-[1-(2-chlorophenyl)-2-keto-cyclohexyl]-3-(3,4-dimethylphenyl)-1-methyl-thiourea Formula: C22H25ClN2OS MolecularWeight: 400.9647

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2OS/c1-15-11-12-17(14-16(15)2)24-21(27)25(3)22(13-7-6-10-20(22)26)18-8-4-5-9-19(18)23/h4-5,8-9,11-12,14H,6-7,10,13H2,1-3H3,(H,24,27)