S-[(4-tert-butylphenyl)methyl] N-[2-(3,3,5-trimethylcyclohexyl)pyridin-3-yl]carbamothioate

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3,3,5-trimethylcyclohexyl)pyridin-3-yl]carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3,3,5-trimethylcyclohexyl)-3-pyridyl]carbamothioate CAS Name: N-[2-(3,3,5-trimethylcyclohexyl)-3-pyridinyl]carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3,3,5-trimethylcyclohexyl)pyridin-3-yl]carbamothioate Traditional Name: N-[2-(3,3,5-trimethylcyclohexyl)-3-pyridyl]thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C26H36N2OS MolecularWeight: 424.64184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(C1)(C)C)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CC(CC(C1)(C)C)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H36N2OS/c1-18-14-20(16-26(5,6)15-18)23-22(8-7-13-27-23)28-24(29)30-17-19-9-11-21(12-10-19)25(2,3)4/h7-13,18,20H,14-17H2,1-6H3,(H,28,29)