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

Systemtic Name: methyl 5-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[3-(1-pyrazolyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-(3-pyrazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-methyl-2-(3-pyrazol-1-ylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C14H18N4O2S2 MolecularWeight: 338.44832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NCCCN2C=CC=N2)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NCCCN2C=CC=N2)C(=O)OC

InChI

InChI=1S/C14H18N4O2S2/c1-10-9-11(13(19)20-2)12(22-10)17-14(21)15-5-3-7-18-8-4-6-16-18/h4,6,8-9H,3,5,7H2,1-2H3,(H2,15,17,21)