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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-(2-pentan-2-ylpyridin-3-yl)carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-[2-(1-methylbutyl)-3-pyridyl]carbamothioate CAS Name: N-(2-pentan-2-yl-3-pyridinyl)carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-(2-pentan-2-ylpyridin-3-yl)carbamothioate Traditional Name: N-[2-(1-methylbutyl)-3-pyridyl]thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCC(C)C1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H30N2OS/c1-6-8-16(2)20-19(9-7-14-23-20)24-21(25)26-15-17-10-12-18(13-11-17)22(3,4)5/h7,9-14,16H,6,8,15H2,1-5H3,(H,24,25)