1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanone

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanone Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]ethanone Formula: C24H23N3O2S MolecularWeight: 417.52332

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)N3CCCC3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C24H23N3O2S/c1-16(28)26-14-12-17-7-2-3-8-18(17)21(26)15-23(29)27-13-6-10-20(27)24-25-19-9-4-5-11-22(19)30-24/h2-5,7-9,11-12,14,20-21H,6,10,13,15H2,1H3