methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(4-pyridylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(pyridin-4-ylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridin-4-ylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(4-pyridylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=NC=C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=NC=C2)C(=O)OC)C

InChI

InChI=1S/C18H22N4O3S2/c1-5-22(6-2)16(23)14-11(3)13(17(24)25-4)15(27-14)21-18(26)20-12-7-9-19-10-8-12/h7-10H,5-6H2,1-4H3,(H2,19,20,21,26)