methyl 2-[[3-methoxypropyl-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[3-methoxypropyl-[(2-oxidanylidene-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[3-methoxypropyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[3-methoxypropyl-[(2-oxo-1H-quinolin-4-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-methoxypropyl-[(2-oxo-1H-quinolin-4-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-1H-quinolin-4-yl)methyl-(3-methoxypropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COCCCN(CC1=CC(=O)NC2=CC=CC=C21)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H25N3O4S/c1-29-13-7-12-26(15-16-14-21(27)24-19-10-5-3-8-17(16)19)23(31)25-20-11-6-4-9-18(20)22(28)30-2/h3-6,8-11,14H,7,12-13,15H2,1-2H3,(H,24,27)(H,25,31)