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

Systemtic Name: ethyl 4-[[(phenylmethyl)-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[benzyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[(phenylmethyl)-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[benzyl(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2)CC3=CN=CC=C3

InChI

InChI=1S/C23H23N3O2S/c1-2-28-22(27)20-10-12-21(13-11-20)25-23(29)26(16-18-7-4-3-5-8-18)17-19-9-6-14-24-15-19/h3-15H,2,16-17H2,1H3,(H,25,29)