ethyl 4-[propanoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate

Systemtic Name: ethyl 4-[propanoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[propanoylcarbamothioyl(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[(1-oxopropylamino)-sulfanylidenemethyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[propanoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[propionylthiocarbamoyl(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)N(CC1=CN=CC=C1)C2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC(=O)NC(=S)N(CC1=CN=CC=C1)C2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C19H21N3O3S/c1-3-17(23)21-19(26)22(13-14-6-5-11-20-12-14)16-9-7-15(8-10-16)18(24)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,23,26)