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

Systemtic Name: ethyl 4-[phenylcarbonylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate Openeye Name: ethyl 4-[benzoylcarbamothioyl(3-pyridylmethyl)amino]benzoate CAS Name: 4-[[benzamido(sulfanylidene)methyl]-(3-pyridinylmethyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[benzoylcarbamothioyl(pyridin-3-ylmethyl)amino]benzoate Traditional Name: 4-[benzoylthiocarbamoyl(3-pyridylmethyl)amino]benzoic acid ethyl ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CC2=CN=CC=C2)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21N3O3S/c1-2-29-22(28)19-10-12-20(13-11-19)26(16-17-7-6-14-24-15-17)23(30)25-21(27)18-8-4-3-5-9-18/h3-15H,2,16H2,1H3,(H,25,27,30)