methyl 2-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-p-anisyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CC3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C29H29N3O4S/c1-4-19-11-14-25-21(15-19)16-22(27(33)30-25)18-32(17-20-9-12-23(35-2)13-10-20)29(37)31-26-8-6-5-7-24(26)28(34)36-3/h5-16H,4,17-18H2,1-3H3,(H,30,33)(H,31,37)