ethyl 4-(1-pyridin-4-ylethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1-pyridin-4-ylethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-[1-(4-pyridyl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1-pyridin-4-ylethylcarbamothioylamino)benzoate Traditional Name: 4-[1-(4-pyridyl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-3-22-16(21)14-4-6-15(7-5-14)20-17(23)19-12(2)13-8-10-18-11-9-13/h4-12H,3H2,1-2H3,(H2,19,20,23)