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

Systemtic Name: methyl 5-methyl-2-[(pyridin-4-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(pyridine-4-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[oxo(pyridin-4-yl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(pyridine-4-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 2-(isonicotinamidothiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C14H14N4O3S2 MolecularWeight: 350.41596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NNC(=O)C2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C14H14N4O3S2/c1-8-7-10(13(20)21-2)12(23-8)16-14(22)18-17-11(19)9-3-5-15-6-4-9/h3-7H,1-2H3,(H,17,19)(H2,16,18,22)