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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-(2-propylpyridin-3-yl)carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-(2-propyl-3-pyridyl)carbamothioate CAS Name: N-(2-propyl-3-pyridinyl)carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-(2-propylpyridin-3-yl)carbamothioate Traditional Name: N-(2-propyl-3-pyridyl)thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26N2OS/c1-5-7-17-18(8-6-13-21-17)22-19(23)24-14-15-9-11-16(12-10-15)20(2,3)4/h6,8-13H,5,7,14H2,1-4H3,(H,22,23)