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

Systemtic Name: methyl 5-methyl-2-[[(2-pyridin-3-ylquinolin-4-yl)carbonylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[[2-(3-pyridyl)quinoline-4-carbonyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[oxo-[2-(3-pyridinyl)-4-quinolinyl]methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[(2-pyridin-3-ylquinoline-4-carbonyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[[2-(3-pyridyl)quinoline-4-carbonyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H19N5O3S2 MolecularWeight: 477.55866

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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=CN=CC=C4)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O3S2/c1-13-10-17(22(30)31-2)21(33-13)26-23(32)28-27-20(29)16-11-19(14-6-5-9-24-12-14)25-18-8-4-3-7-15(16)18/h3-12H,1-2H3,(H,27,29)(H2,26,28,32)