[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 1-cyclohexyl-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-1-methyl-3-phenyl-isothiourea CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-cyclohexyl-2-[2-(2,5-dimethylphenyl)-2-keto-ethyl]-1-methyl-3-phenyl-isothiourea Formula: C24H30N2OS MolecularWeight: 394.5728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2OS/c1-18-14-15-19(2)22(16-18)23(27)17-28-24(25-20-10-6-4-7-11-20)26(3)21-12-8-5-9-13-21/h4,6-7,10-11,14-16,21H,5,8-9,12-13,17H2,1-3H3