methyl 2-[[[2-(2,5-dimethoxyphenyl)quinolin-4-yl]carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[[2-(2,5-dimethoxyphenyl)quinolin-4-yl]carbonylamino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl]amino]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[[2-(2,5-dimethoxyphenyl)-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl]amino]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[[2-(2,5-dimethoxyphenyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C31H26N4O5S2 MolecularWeight: 598.69194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C31H26N4O5S2/c1-38-19-13-14-26(39-2)22(15-19)25-16-21(20-11-7-8-12-24(20)32-25)28(36)34-35-31(41)33-29-23(30(37)40-3)17-27(42-29)18-9-5-4-6-10-18/h4-17H,1-3H3,(H,34,36)(H2,33,35,41)