methyl 5-ethyl-2-(3-imidazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-(3-imidazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-(3-imidazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-(3-imidazol-1-ylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-ethyl-2-(3-imidazol-1-ylpropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C15H20N4O2S2 MolecularWeight: 352.4749

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NCCCN2C=CN=C2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NCCCN2C=CN=C2)C(=O)OC

InChI

InChI=1S/C15H20N4O2S2/c1-3-11-9-12(14(20)21-2)13(23-11)18-15(22)17-5-4-7-19-8-6-16-10-19/h6,8-10H,3-5,7H2,1-2H3,(H2,17,18,22)