methyl 2-[[furan-2-ylmethyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[furan-2-ylmethyl-[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-furylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[2-furanylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[furan-2-ylmethyl-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[2-furfuryl-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H23N3O4S/c1-16-9-10-17-13-18(23(29)26-22(17)12-16)14-28(15-19-6-5-11-32-19)25(33)27-21-8-4-3-7-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,33)