methyl 2-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[2-furfuryl-[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C26H25N3O4S/c1-16-10-11-18-13-19(24(30)28-23(18)17(16)2)14-29(15-20-7-6-12-33-20)26(34)27-22-9-5-4-8-21(22)25(31)32-3/h4-13H,14-15H2,1-3H3,(H,27,34)(H,28,30)