methyl 2-[[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]carbonylamino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[[2-(1,3-benzodioxol-5-yl)-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-(1,3-benzodioxol-5-yl)quinoline-4-carbonyl]amino]thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C28H25N5O6S2 MolecularWeight: 591.658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)N(C)C

InChI

InChI=1S/C28H25N5O6S2/c1-14-22(27(36)37-4)25(41-23(14)26(35)33(2)3)30-28(40)32-31-24(34)17-12-19(29-18-8-6-5-7-16(17)18)15-9-10-20-21(11-15)39-13-38-20/h5-12H,13H2,1-4H3,(H,31,34)(H2,30,32,40)