methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[1-(4-pyridyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(1-pyridin-4-ylethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1-pyridin-4-ylethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[1-(4-pyridyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S2/c1-6-24(7-2)18(25)16-12(3)15(19(26)27-5)17(29-16)23-20(28)22-13(4)14-8-10-21-11-9-14/h8-11,13H,6-7H2,1-5H3,(H2,22,23,28)