methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-[[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-imidazol-1-ylpropylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-(3-imidazol-1-ylpropylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C13H16N4O2S2 MolecularWeight: 324.42174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CS1)NC(=S)NCCCN2C=CN=C2

Isomeric SMILES

COC(=O)C1=C(C=CS1)NC(=S)NCCCN2C=CN=C2

InChI

InChI=1S/C13H16N4O2S2/c1-19-12(18)11-10(3-8-21-11)16-13(20)15-4-2-6-17-7-5-14-9-17/h3,5,7-9H,2,4,6H2,1H3,(H2,15,16,20)