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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-pyridylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(3-pyridinylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(pyridin-3-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(3-pyridylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CN=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CN=CC=C2)C(=O)OC)C

InChI

InChI=1S/C19H24N4O3S2/c1-5-23(6-2)17(24)15-12(3)14(18(25)26-4)16(28-15)22-19(27)21-11-13-8-7-9-20-10-13/h7-10H,5-6,11H2,1-4H3,(H2,21,22,27)