ethyl 4-[[2-morpholin-4-ylethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[2-morpholin-4-ylethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[2-morpholinoethyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-(4-morpholinyl)ethyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-morpholin-4-ylethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-morpholinoethyl(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCN2CCOCC2)CC3=CN=CC=C3

InChI

InChI=1S/C22H28N4O3S/c1-2-29-21(27)19-5-7-20(8-6-19)24-22(30)26(17-18-4-3-9-23-16-18)11-10-25-12-14-28-15-13-25/h3-9,16H,2,10-15,17H2,1H3,(H,24,30)