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

Systemtic Name: methyl 2-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(tetrahydrofuran-2-ylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-oxolanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(oxolan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(tetrahydrofurfuryl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3CCCO3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C26H29N3O4S/c1-3-17-10-11-22-18(13-17)14-19(24(30)27-22)15-29(16-20-7-6-12-33-20)26(34)28-23-9-5-4-8-21(23)25(31)32-2/h4-5,8-11,13-14,20H,3,6-7,12,15-16H2,1-2H3,(H,27,30)(H,28,34)