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

Systemtic Name: 1-[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-3-(4-methoxyphenyl)-1-methyl-thiourea Openeye Name: 1-[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-3-(4-methoxyphenyl)-1-methyl-thiourea CAS Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-(4-methoxyphenyl)-1-methylthiourea IUPAC Name: 1-[1-(2-chlorophenyl)-2-oxocyclohexyl]-3-(4-methoxyphenyl)-1-methylthiourea Traditional Name: 1-[1-(2-chlorophenyl)-2-keto-cyclohexyl]-3-(4-methoxyphenyl)-1-methyl-thiourea Formula: C21H23ClN2O2S MolecularWeight: 402.93752

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NC1=CC=C(C=C1)OC)C2(CCCCC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CN(C(=S)NC1=CC=C(C=C1)OC)C2(CCCCC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O2S/c1-24(20(27)23-15-10-12-16(26-2)13-11-15)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,23,27)