2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-methyl-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[3-methyl-4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-N-[4-(2-ketopyrrolidino)-3-methyl-phenyl]acetamide Formula: C21H21N3O2S2 MolecularWeight: 411.54034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)N4CCCC4=O

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSCC2=NC3=CC=CC=C3S2)N4CCCC4=O

InChI

InChI=1S/C21H21N3O2S2/c1-14-11-15(8-9-17(14)24-10-4-7-21(24)26)22-19(25)12-27-13-20-23-16-5-2-3-6-18(16)28-20/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,22,25)