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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-(2-cyclopentylpyridin-3-yl)carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-(2-cyclopentyl-3-pyridyl)carbamothioate CAS Name: N-(2-cyclopentyl-3-pyridinyl)carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-(2-cyclopentylpyridin-3-yl)carbamothioate Traditional Name: N-(2-cyclopentyl-3-pyridyl)thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC(=O)NC2=C(N=CC=C2)C3CCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC(=O)NC2=C(N=CC=C2)C3CCCC3

InChI

InChI=1S/C22H28N2OS/c1-22(2,3)18-12-10-16(11-13-18)15-26-21(25)24-19-9-6-14-23-20(19)17-7-4-5-8-17/h6,9-14,17H,4-5,7-8,15H2,1-3H3,(H,24,25)