ethyl 4-[[[2-(3,4-dimethoxyphenyl)-6-methyl-quinolin-4-yl]carbonylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[[2-(3,4-dimethoxyphenyl)-6-methyl-quinolin-4-yl]carbonylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[[2-(3,4-dimethoxyphenyl)-6-methyl-quinoline-4-carbonyl]amino]carbamothioylamino]benzoate CAS Name: 4-[[[[[2-(3,4-dimethoxyphenyl)-6-methyl-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(3,4-dimethoxyphenyl)-6-methylquinoline-4-carbonyl]amino]carbamothioylamino]benzoate Traditional Name: 4-[[[2-(3,4-dimethoxyphenyl)-6-methyl-quinoline-4-carbonyl]amino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C29H28N4O5S MolecularWeight: 544.62142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H28N4O5S/c1-5-38-28(35)18-7-10-20(11-8-18)30-29(39)33-32-27(34)22-16-24(31-23-12-6-17(2)14-21(22)23)19-9-13-25(36-3)26(15-19)37-4/h6-16H,5H2,1-4H3,(H,32,34)(H2,30,33,39)