methyl 2-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-furanylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(furan-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[2-furfuryl-[(2-keto-5,7-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=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=CO3)C(=S)NC4=CC=CC=C4C(=O)OC)C

InChI

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