methyl 4-[[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[[2-(furan-2-yl)quinolin-4-yl]carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(2-furyl)quinoline-4-carbonyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[[2-(2-furanyl)-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(furan-2-yl)quinoline-4-carbonyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(2-furyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CO3

InChI

InChI=1S/C20H20N4O4S/c1-27-18(25)9-4-10-21-20(29)24-23-19(26)14-12-16(17-8-5-11-28-17)22-15-7-3-2-6-13(14)15/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,23,26)(H2,21,24,29)