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

Systemtic Name: methyl 2-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-piperidin-1-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[2-(1-piperidyl)ethyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[2-(1-piperidinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-piperidin-1-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6-methyl-1H-quinolin-3-yl)methyl-(2-piperidinoethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H32N4O3S MolecularWeight: 492.63298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H32N4O3S/c1-19-10-11-23-20(16-19)17-21(25(32)28-23)18-31(15-14-30-12-6-3-7-13-30)27(35)29-24-9-5-4-8-22(24)26(33)34-2/h4-5,8-11,16-17H,3,6-7,12-15,18H2,1-2H3,(H,28,32)(H,29,35)