methyl 2-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H34N4O5S MolecularWeight: 538.65836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H34N4O5S/c1-3-37-22-9-10-24-20(18-22)17-21(26(33)29-24)19-32(12-6-11-31-13-15-36-16-14-31)28(38)30-25-8-5-4-7-23(25)27(34)35-2/h4-5,7-10,17-18H,3,6,11-16,19H2,1-2H3,(H,29,33)(H,30,38)