S-[(4-tert-butylphenyl)methyl] N-(2-cyclohexylpyridin-3-yl)carbamothioate

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-(2-cyclohexylpyridin-3-yl)carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-(2-cyclohexyl-3-pyridyl)carbamothioate CAS Name: N-(2-cyclohexyl-3-pyridinyl)carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-(2-cyclohexylpyridin-3-yl)carbamothioate Traditional Name: N-(2-cyclohexyl-3-pyridyl)thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C23H30N2OS MolecularWeight: 382.5621

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2OS/c1-23(2,3)19-13-11-17(12-14-19)16-27-22(26)25-20-10-7-15-24-21(20)18-8-5-4-6-9-18/h7,10-15,18H,4-6,8-9,16H2,1-3H3,(H,25,26)