methyl 2-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(tetrahydrofuran-2-ylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-oxolanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-(tetrahydrofurfuryl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H27N3O5S/c1-31-18-9-10-21-16(13-18)12-17(23(29)26-21)14-28(15-19-6-5-11-33-19)25(34)27-22-8-4-3-7-20(22)24(30)32-2/h3-4,7-10,12-13,19H,5-6,11,14-15H2,1-2H3,(H,26,29)(H,27,34)