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

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] N-cyclohexyl-N-methyl-N'-phenyl-carbamimidothioate Openeye Name: 2-[2-(4-tert-butylphenyl)-2-oxo-ethyl]-1-cyclohexyl-1-methyl-3-phenyl-isothiourea CAS Name: N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] N-cyclohexyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 2-[2-(4-tert-butylphenyl)-2-keto-ethyl]-1-cyclohexyl-1-methyl-3-phenyl-isothiourea Formula: C26H34N2OS MolecularWeight: 422.62596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2OS/c1-26(2,3)21-17-15-20(16-18-21)24(29)19-30-25(27-22-11-7-5-8-12-22)28(4)23-13-9-6-10-14-23/h5,7-8,11-12,15-18,23H,6,9-10,13-14,19H2,1-4H3