2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpyridin-2-yl]sulfanylethanamide

Systemtic Name: 2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylpyridin-2-yl]sulfanylethanamide Openeye Name: 2-[[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-pyridyl]sulfanyl]acetamide CAS Name: 2-[[3-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]-2-pyridinyl]thio]acetamide IUPAC Name: 2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]pyridin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]-2-pyridyl]thio]acetamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=C(N=CC=C2)SCC(=O)N)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C2=C(N=CC=C2)SCC(=O)N)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O2S2/c21-17(25)12-27-19-14(6-3-9-22-19)20(26)24-10-4-5-13(11-24)18-23-15-7-1-2-8-16(15)28-18/h1-3,6-9,13H,4-5,10-12H2,(H2,21,25)/t13-/m0/s1