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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[3-(1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C26H21N3O2S MolecularWeight: 439.52884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H21N3O2S/c1-17(30)29-14-13-18-7-2-3-10-21(18)23(29)16-25(31)27-20-9-6-8-19(15-20)26-28-22-11-4-5-12-24(22)32-26/h2-15,23H,16H2,1H3,(H,27,31)/t23-/m0/s1