2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide

Systemtic Name: 2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]ethanamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-acetamide CAS Name: 2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]acetamide IUPAC Name: 2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanyl-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]acetamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-[[2-keto-2-(2-pyridylamino)ethyl]thio]acetamide Formula: C21H24N4O2S4 MolecularWeight: 492.70086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=N3

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C21H24N4O2S4/c1-14(2)29-9-10-30-21-24-16-7-6-15(11-17(16)31-21)23-19(26)12-28-13-20(27)25-18-5-3-4-8-22-18/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,23,26)(H,22,25,27)