N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-2-[(1R)-2-ethanoyl-1H-isoquinolin-1-yl]ethanamide Openeye Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]acetamide CAS Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]acetamide IUPAC Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]acetamide Traditional Name: 2-[(1R)-2-acetyl-1H-isoquinolin-1-yl]-N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]acetamide Formula: C27H23N3O2S MolecularWeight: 453.55542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@H]1CC(=O)NC3=CC=C(C=C3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H23N3O2S/c1-18(31)30-15-14-20-6-2-3-7-22(20)24(30)17-26(32)28-21-12-10-19(11-13-21)16-27-29-23-8-4-5-9-25(23)33-27/h2-15,24H,16-17H2,1H3,(H,28,32)/t24-/m1/s1