O-(pyridin-3-ylmethyl) N-[4-(4-methylpentanoyl)phenyl]carbamothioate

Systemtic Name: O-(pyridin-3-ylmethyl) N-[4-(4-methylpentanoyl)phenyl]carbamothioate Openeye Name: O-(3-pyridylmethyl) N-[4-(4-methylpentanoyl)phenyl]carbamothioate CAS Name: N-[4-(4-methyl-1-oxopentyl)phenyl]carbamothioic acid O-(3-pyridinylmethyl) ester IUPAC Name: O-(pyridin-3-ylmethyl) N-[4-(4-methylpentanoyl)phenyl]carbamothioate Traditional Name: N-[4-(4-methylpentanoyl)phenyl]thiocarbamic acid O-(3-pyridylmethyl) ester Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)C1=CC=C(C=C1)NC(=S)OCC2=CN=CC=C2

Isomeric SMILES

CC(C)CCC(=O)C1=CC=C(C=C1)NC(=S)OCC2=CN=CC=C2

InChI

InChI=1S/C19H22N2O2S/c1-14(2)5-10-18(22)16-6-8-17(9-7-16)21-19(24)23-13-15-4-3-11-20-12-15/h3-4,6-9,11-12,14H,5,10,13H2,1-2H3,(H,21,24)