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

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

CC1CCC(CC1)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CCC(CC1)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H32N2OS/c1-17-7-11-19(12-8-17)22-21(6-5-15-25-22)26-23(27)28-16-18-9-13-20(14-10-18)24(2,3)4/h5-6,9-10,13-15,17,19H,7-8,11-12,16H2,1-4H3,(H,26,27)