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

Systemtic Name: methyl 2-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-pyrrolidin-1-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-pyrrolidin-1-ylethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(1-pyrrolidinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-pyrrolidin-1-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-(2-pyrrolidinoethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H32N4O4S/c1-3-35-21-10-11-23-19(17-21)16-20(25(32)28-23)18-31(15-14-30-12-6-7-13-30)27(36)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,29,36)