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

Systemtic Name: methyl 2-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[benzyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[benzyl-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[benzyl-[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H27N3O4S/c1-3-35-22-13-14-24-20(16-22)15-21(26(32)29-24)18-31(17-19-9-5-4-6-10-19)28(36)30-25-12-8-7-11-23(25)27(33)34-2/h4-16H,3,17-18H2,1-2H3,(H,29,32)(H,30,36)