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

Systemtic Name: ethyl 4-[[3-morpholin-4-ylpropyl(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-morpholinopropyl(2-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(4-morpholinyl)propyl-(2-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-morpholin-4-ylpropyl(pyridin-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[3-morpholinopropyl(2-pyridylmethyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H30N4O3S MolecularWeight: 442.5743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CC=CC=N3

InChI

InChI=1S/C23H30N4O3S/c1-2-30-22(28)19-7-9-20(10-8-19)25-23(31)27(18-21-6-3-4-11-24-21)13-5-12-26-14-16-29-17-15-26/h3-4,6-11H,2,5,12-18H2,1H3,(H,25,31)