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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H30N2OS/c1-5-6-7-9-19-20(10-8-15-23-19)24-21(25)26-16-17-11-13-18(14-12-17)22(2,3)4/h8,10-15H,5-7,9,16H2,1-4H3,(H,24,25)