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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N2OS/c1-5-6-8-18-19(9-7-14-22-18)23-20(24)25-15-16-10-12-17(13-11-16)21(2,3)4/h7,9-14H,5-6,8,15H2,1-4H3,(H,23,24)