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

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-ethanamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-acetamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]acetamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-2-[[2-keto-2-(2-pyridylamino)ethyl]thio]acetamide Formula: C22H24N4O4S3 MolecularWeight: 504.64536

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSCC(=O)NC4=CC=CC=N4

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)CSCC(=O)NC4=CC=CC=N4

InChI

InChI=1S/C22H24N4O4S3/c27-19(13-31-14-20(28)26-18-4-1-2-8-23-18)24-15-5-6-16-17(12-15)33-22(25-16)32-11-7-21-29-9-3-10-30-21/h1-2,4-6,8,12,21H,3,7,9-11,13-14H2,(H,24,27)(H,23,26,28)