methyl 5-ethyl-2-[(pyridin-4-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(pyridin-4-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(pyridine-4-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(pyridine-4-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(isonicotinamidothiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C15H16N4O3S2 MolecularWeight: 364.44254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C15H16N4O3S2/c1-3-10-8-11(14(21)22-2)13(24-10)17-15(23)19-18-12(20)9-4-6-16-7-5-9/h4-8H,3H2,1-2H3,(H,18,20)(H2,17,19,23)