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

Systemtic Name: methyl 2-[[(7-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-7-methyl-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H24N4O3S MolecularWeight: 472.55876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C26H24N4O3S/c1-17-9-10-19-13-20(24(31)28-23(19)12-17)16-30(15-18-6-5-11-27-14-18)26(34)29-22-8-4-3-7-21(22)25(32)33-2/h3-14H,15-16H2,1-2H3,(H,28,31)(H,29,34)