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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(pyridin-3-ylcarbonylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(pyridine-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[[oxo(3-pyridinyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(pyridine-3-carbonylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(nicotinamidothiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H19N5O4S2 MolecularWeight: 421.49386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4S2/c1-9-11(16(25)26-4)14(28-12(9)15(24)22(2)3)19-17(27)21-20-13(23)10-6-5-7-18-8-10/h5-8H,1-4H3,(H,20,23)(H2,19,21,27)