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

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-[2-oxidanylidene-2-(pyridin-2-ylamino)ethyl]sulfanyl-ethanamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-2-[2-oxo-2-(2-pyridylamino)ethyl]sulfanyl-acetamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-2-[[2-oxo-2-(2-pyridinylamino)ethyl]thio]acetamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-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-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]acetamide Formula: C22H26N4O3S3 MolecularWeight: 490.66184

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=N3)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)CSCC(=O)NC3=CC=CC=N3)OC

InChI

InChI=1S/C22H26N4O3S3/c1-22(2,29-3)9-11-31-21-25-16-8-7-15(12-17(16)32-21)24-19(27)13-30-14-20(28)26-18-6-4-5-10-23-18/h4-8,10,12H,9,11,13-14H2,1-3H3,(H,24,27)(H,23,26,28)