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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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