2-[[4-cyano-3-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[4-cyano-3-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[4-cyano-3-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-isothiazol-5-yl]sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-cyano-3-[[2-oxo-2-(phenethylamino)ethyl]thio]-5-isothiazolyl]thio]-N-phenethylacetamide IUPAC Name: 2-[[4-cyano-3-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[4-cyano-3-[[2-keto-2-(phenethylamino)ethyl]thio]isothiazol-5-yl]thio]-N-phenethyl-acetamide Formula: C24H24N4O2S3 MolecularWeight: 496.66796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=C(C(=NS2)SCC(=O)NCCC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=C(C(=NS2)SCC(=O)NCCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H24N4O2S3/c25-15-20-23(31-16-21(29)26-13-11-18-7-3-1-4-8-18)28-33-24(20)32-17-22(30)27-14-12-19-9-5-2-6-10-19/h1-10H,11-14,16-17H2,(H,26,29)(H,27,30)