N-(1,3-benzothiazol-2-yl)-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-(1,3-benzothiazol-2-yl)acetamide Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O2S/c1-13(24)23-11-10-14-6-2-3-7-15(14)17(23)12-19(25)22-20-21-16-8-4-5-9-18(16)26-20/h2-11,17H,12H2,1H3,(H,21,22,25)/t17-/m1/s1