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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylcyclohexyl)pyridin-3-yl]carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylcyclohexyl)-3-pyridyl]carbamothioate CAS Name: N-[2-(3-methylcyclohexyl)-3-pyridinyl]carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylcyclohexyl)pyridin-3-yl]carbamothioate Traditional Name: N-[2-(3-methylcyclohexyl)-3-pyridyl]thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C24H32N2OS MolecularWeight: 396.58868

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CCCC(C1)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H32N2OS/c1-17-7-5-8-19(15-17)22-21(9-6-14-25-22)26-23(27)28-16-18-10-12-20(13-11-18)24(2,3)4/h6,9-14,17,19H,5,7-8,15-16H2,1-4H3,(H,26,27)