methyl 2-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

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