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

Systemtic Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylbutan-2-yl)pyridin-3-yl]carbamothioate Openeye Name: S-[(4-tert-butylphenyl)methyl] N-[2-(1,2-dimethylpropyl)-3-pyridyl]carbamothioate CAS Name: N-[2-(3-methylbutan-2-yl)-3-pyridinyl]carbamothioic acid S-[(4-tert-butylphenyl)methyl] ester IUPAC Name: S-[(4-tert-butylphenyl)methyl] N-[2-(3-methylbutan-2-yl)pyridin-3-yl]carbamothioate Traditional Name: N-[2-(1,2-dimethylpropyl)-3-pyridyl]thiocarbamic acid S-(4-tert-butylbenzyl) ester Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2OS/c1-15(2)16(3)20-19(8-7-13-23-20)24-21(25)26-14-17-9-11-18(12-10-17)22(4,5)6/h7-13,15-16H,14H2,1-6H3,(H,24,25)