methyl 4-(2-pyridin-2-ylethylcarbamothioylamino)benzoate

Systemtic Name: methyl 4-(2-pyridin-2-ylethylcarbamothioylamino)benzoate Openeye Name: methyl 4-[2-(2-pyridyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(2-pyridinyl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(2-pyridin-2-ylethylcarbamothioylamino)benzoate Traditional Name: 4-[2-(2-pyridyl)ethylthiocarbamoylamino]benzoic acid methyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC=CC=N2

InChI

InChI=1S/C16H17N3O2S/c1-21-15(20)12-5-7-14(8-6-12)19-16(22)18-11-9-13-4-2-3-10-17-13/h2-8,10H,9,11H2,1H3,(H2,18,19,22)