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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[3-(1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(3-pyrazol-1-ylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H27N5O3S2 MolecularWeight: 437.57938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCN2C=CC=N2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCN2C=CC=N2)C(=O)OC)C

InChI

InChI=1S/C19H27N5O3S2/c1-5-23(6-2)17(25)15-13(3)14(18(26)27-4)16(29-15)22-19(28)20-9-7-11-24-12-8-10-21-24/h8,10,12H,5-7,9,11H2,1-4H3,(H2,20,22,28)