methyl 5-(diethylcarbamoyl)-4-methyl-2-[[[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[[2-(5-methylfuran-2-yl)quinolin-4-yl]carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[[2-(5-methyl-2-furyl)quinoline-4-carbonyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[[[2-(5-methyl-2-furanyl)-4-quinolinyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[[2-(5-methylfuran-2-yl)quinoline-4-carbonyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[[2-(5-methyl-2-furyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C28H29N5O5S2 MolecularWeight: 579.69036

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(O4)C)C(=O)OC)C

InChI

InChI=1S/C28H29N5O5S2/c1-6-33(7-2)26(35)23-16(4)22(27(36)37-5)25(40-23)30-28(39)32-31-24(34)18-14-20(21-13-12-15(3)38-21)29-19-11-9-8-10-17(18)19/h8-14H,6-7H2,1-5H3,(H,31,34)(H2,30,32,39)