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

Systemtic Name: methyl 2-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(2-hydroxyethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCO)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H25N3O5S/c1-3-31-17-8-9-19-15(13-17)12-16(21(28)24-19)14-26(10-11-27)23(32)25-20-7-5-4-6-18(20)22(29)30-2/h4-9,12-13,27H,3,10-11,14H2,1-2H3,(H,24,28)(H,25,32)