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

Systemtic Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-ethanamide Openeye Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-acetamide CAS Name: N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]acetamide IUPAC Name: N-[2-(2-methoxyethoxymethylsulfanyl)-1,3-benzothiazol-6-yl]-2-[2-oxo-2-(pyridin-2-ylamino)ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-(2-pyridylamino)ethyl]thio]-N-[2-(2-methoxyethoxymethylthio)-1,3-benzothiazol-6-yl]acetamide Formula: C20H22N4O4S3 MolecularWeight: 478.60808

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=N3

Isomeric SMILES

COCCOCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=N3

InChI

InChI=1S/C20H22N4O4S3/c1-27-8-9-28-13-30-20-23-15-6-5-14(10-16(15)31-20)22-18(25)11-29-12-19(26)24-17-4-2-3-7-21-17/h2-7,10H,8-9,11-13H2,1H3,(H,22,25)(H,21,24,26)