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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-(2-butan-2-ylpyridin-3-yl)carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-(2-sec-butyl-3-pyridyl)carbamothioate CAS Name: N-(2-butan-2-yl-3-pyridinyl)carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-(2-butan-2-ylpyridin-3-yl)carbamothioate Traditional Name: N-(2-sec-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:

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

Isomeric SMILES

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

InChI

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