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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3,4-dimethylcyclohexyl)pyridin-3-yl]carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3,4-dimethylcyclohexyl)-3-pyridyl]carbamothioate CAS Name: N-[2-(3,4-dimethylcyclohexyl)-3-pyridinyl]carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3,4-dimethylcyclohexyl)pyridin-3-yl]carbamothioate Traditional Name: N-[2-(3,4-dimethylcyclohexyl)-3-pyridyl]thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C25H34N2OS MolecularWeight: 410.61526

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1C)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1CCC(CC1C)C2=C(C=CC=N2)NC(=O)SCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H34N2OS/c1-17-8-11-20(15-18(17)2)23-22(7-6-14-26-23)27-24(28)29-16-19-9-12-21(13-10-19)25(3,4)5/h6-7,9-10,12-14,17-18,20H,8,11,15-16H2,1-5H3,(H,27,28)