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

Systemtic Name: ethyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(1-imidazolyl)propylamino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3-imidazol-1-ylpropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(3-imidazol-1-ylpropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S2/c1-2-26-19(25)16-13-17(15-7-4-3-5-8-15)28-18(16)23-20(27)22-9-6-11-24-12-10-21-14-24/h3-5,7-8,10,12-14H,2,6,9,11H2,1H3,(H2,22,23,27)