[2-(4-methylphenyl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-cyclohexyl-1-methyl-2-[2-oxo-2-(p-tolyl)ethyl]-3-phenyl-isothiourea CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-cyclohexyl-2-[2-keto-2-(p-tolyl)ethyl]-1-methyl-3-phenyl-isothiourea Formula: C23H28N2OS MolecularWeight: 380.54622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)N(C)C3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC(=NC2=CC=CC=C2)N(C)C3CCCCC3

InChI

InChI=1S/C23H28N2OS/c1-18-13-15-19(16-14-18)22(26)17-27-23(24-20-9-5-3-6-10-20)25(2)21-11-7-4-8-12-21/h3,5-6,9-10,13-16,21H,4,7-8,11-12,17H2,1-2H3