methyl N'-tert-butyl-N-(2-cyclohexyl-4-phenoxy-6-propan-2-yl-phenyl)carbamimidothioate

Systemtic Name: methyl N'-tert-butyl-N-(2-cyclohexyl-4-phenoxy-6-propan-2-yl-phenyl)carbamimidothioate Openeye Name: 3-tert-butyl-1-(2-cyclohexyl-6-isopropyl-4-phenoxy-phenyl)-2-methyl-isothiourea CAS Name: N'-tert-butyl-N-(2-cyclohexyl-4-phenoxy-6-propan-2-ylphenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-tert-butyl-N-(2-cyclohexyl-4-phenoxy-6-propan-2-ylphenyl)carbamimidothioate Traditional Name: 3-tert-butyl-1-(2-cyclohexyl-6-isopropyl-4-phenoxy-phenyl)-2-methyl-isothiourea Formula: C27H38N2OS MolecularWeight: 438.66842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC(=C1)OC2=CC=CC=C2)C3CCCCC3)NC(=NC(C)(C)C)SC

Isomeric SMILES

CC(C)C1=C(C(=CC(=C1)OC2=CC=CC=C2)C3CCCCC3)NC(=NC(C)(C)C)SC

InChI

InChI=1S/C27H38N2OS/c1-19(2)23-17-22(30-21-15-11-8-12-16-21)18-24(20-13-9-7-10-14-20)25(23)28-26(31-6)29-27(3,4)5/h8,11-12,15-20H,7,9-10,13-14H2,1-6H3,(H,28,29)