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

Systemtic Name: ethyl 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[3-morpholinopropyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[3-(4-morpholinyl)propyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-morpholin-4-ylpropyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[3-morpholinopropyl(3-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=CN=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CCCN2CCOCC2)CC3=CN=CC=C3

InChI

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