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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-[2-(2-methylpropyl)pyridin-3-yl]carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-(2-isobutyl-3-pyridyl)carbamothioate CAS Name: N-[2-(2-methylpropyl)-3-pyridinyl]carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-[2-(2-methylpropyl)pyridin-3-yl]carbamothioate Traditional Name: N-(2-isobutyl-3-pyridyl)thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C21H28N2OS MolecularWeight: 356.52482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N2OS/c1-15(2)13-19-18(7-6-12-22-19)23-20(24)25-14-16-8-10-17(11-9-16)21(3,4)5/h6-12,15H,13-14H2,1-5H3,(H,23,24)