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

Systemtic Name: methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3-imidazol-1-ylpropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C19H20N4O2S2 MolecularWeight: 400.5177

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCN3C=CN=C3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NCCCN3C=CN=C3

InChI

InChI=1S/C19H20N4O2S2/c1-25-18(24)15-12-16(14-6-3-2-4-7-14)27-17(15)22-19(26)21-8-5-10-23-11-9-20-13-23/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H2,21,22,26)