methyl 5-methyl-2-[[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[[(2-thiophen-2-ylquinolin-4-yl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[[2-(2-thienyl)quinoline-4-carbonyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[(2-thiophen-2-ylquinoline-4-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[[2-(2-thienyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H18N4O3S3 MolecularWeight: 482.59832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C(=O)OC

InChI

InChI=1S/C22H18N4O3S3/c1-12-10-15(21(28)29-2)20(32-12)24-22(30)26-25-19(27)14-11-17(18-8-5-9-31-18)23-16-7-4-3-6-13(14)16/h3-11H,1-2H3,(H,25,27)(H2,24,26,30)