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

Systemtic Name: methyl 2-[[(6-ethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethoxy-2-keto-1H-quinolin-3-yl)methyl-p-anisyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C29H29N3O5S MolecularWeight: 531.62266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C29H29N3O5S/c1-4-37-23-13-14-25-20(16-23)15-21(27(33)30-25)18-32(17-19-9-11-22(35-2)12-10-19)29(38)31-26-8-6-5-7-24(26)28(34)36-3/h5-16H,4,17-18H2,1-3H3,(H,30,33)(H,31,38)