ethyl 4-[(4-methylpyridin-2-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-methylpyridin-2-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-methyl-2-pyridyl)carbamothioylamino]benzoate CAS Name: 4-[[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-methylpyridin-2-yl)carbamothioylamino]benzoate Traditional Name: 4-[(4-methyl-2-pyridyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H17N3O2S MolecularWeight: 315.39008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=NC=CC(=C2)C

InChI

InChI=1S/C16H17N3O2S/c1-3-21-15(20)12-4-6-13(7-5-12)18-16(22)19-14-10-11(2)8-9-17-14/h4-10H,3H2,1-2H3,(H2,17,18,19,22)