S-[(4-chlorophenyl)methyl] N-[2-(2-methylpropyl)pyridin-3-yl]carbamothioate

Systemtic Name: S-[(4-chlorophenyl)methyl] N-[2-(2-methylpropyl)pyridin-3-yl]carbamothioate Openeye Name: S-[(4-chlorophenyl)methyl] N-(2-isobutyl-3-pyridyl)carbamothioate CAS Name: N-[2-(2-methylpropyl)-3-pyridinyl]carbamothioic acid S-[(4-chlorophenyl)methyl] ester IUPAC Name: S-[(4-chlorophenyl)methyl] N-[2-(2-methylpropyl)pyridin-3-yl]carbamothioate Traditional Name: N-(2-isobutyl-3-pyridyl)thiocarbamic acid S-(4-chlorobenzyl) ester Formula: C17H19ClN2OS MolecularWeight: 334.86356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CC1=C(C=CC=N1)NC(=O)SCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H19ClN2OS/c1-12(2)10-16-15(4-3-9-19-16)20-17(21)22-11-13-5-7-14(18)8-6-13/h3-9,12H,10-11H2,1-2H3,(H,20,21)