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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=NC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=NC=C2)C

InChI

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