ethyl 4-[(6-methoxypyridin-3-yl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(6-methoxypyridin-3-yl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(6-methoxy-3-pyridyl)carbamothioylamino]benzoate CAS Name: 4-[[[(6-methoxy-3-pyridinyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-methoxypyridin-3-yl)carbamothioylamino]benzoate Traditional Name: 4-[(6-methoxy-3-pyridyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S/c1-3-22-15(20)11-4-6-12(7-5-11)18-16(23)19-13-8-9-14(21-2)17-10-13/h4-10H,3H2,1-2H3,(H2,18,19,23)