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

Systemtic Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-ethanamide Openeye Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-acetamide CAS Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]acetamide IUPAC Name: N-(2-hept-3-ynylsulfanyl-1,3-benzothiazol-6-yl)-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide Traditional Name: N-[2-(hept-3-ynylthio)-1,3-benzothiazol-6-yl]-2-[[2-keto-2-(2-pyridylamino)ethyl]thio]acetamide Formula: C23H24N4O2S3 MolecularWeight: 484.65726

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=N3

Isomeric SMILES

CCCC#CCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C23H24N4O2S3/c1-2-3-4-5-8-13-31-23-26-18-11-10-17(14-19(18)32-23)25-21(28)15-30-16-22(29)27-20-9-6-7-12-24-20/h6-7,9-12,14H,2-3,8,13,15-16H2,1H3,(H,25,28)(H,24,27,29)