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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylbutyl)pyridin-3-yl]carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-(2-isopentyl-3-pyridyl)carbamothioate CAS Name: N-[2-(3-methylbutyl)-3-pyridinyl]carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylbutyl)pyridin-3-yl]carbamothioate Traditional Name: N-(2-isoamyl-3-pyridyl)thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC(C)CCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H30N2OS/c1-16(2)8-13-19-20(7-6-14-23-19)24-21(25)26-15-17-9-11-18(12-10-17)22(3,4)5/h6-7,9-12,14,16H,8,13,15H2,1-5H3,(H,24,25)