methyl 5-(diethylcarbamoyl)-4-methyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(1H-pyrazol-5-ylmethylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(1H-pyrazol-5-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(1H-pyrazol-5-ylmethylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H23N5O3S2 MolecularWeight: 409.52622

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=NN2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=NN2)C(=O)OC)C

InChI

InChI=1S/C17H23N5O3S2/c1-5-22(6-2)15(23)13-10(3)12(16(24)25-4)14(27-13)20-17(26)18-9-11-7-8-19-21-11/h7-8H,5-6,9H2,1-4H3,(H,19,21)(H2,18,20,26)