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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[(pyridin-3-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-ethyl-5-methyl-2-[(pyridine-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[oxo(3-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-ethyl-5-methyl-2-[(pyridine-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-(nicotinamidothiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C16H18N4O3S2 MolecularWeight: 378.46912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CN=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CN=CC=C2)C

InChI

InChI=1S/C16H18N4O3S2/c1-4-11-9(2)25-14(12(11)15(22)23-3)18-16(24)20-19-13(21)10-6-5-7-17-8-10/h5-8H,4H2,1-3H3,(H,19,21)(H2,18,20,24)