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

Systemtic Name: N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanamide Openeye Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide IUPAC Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)-N-[3-(1,3-dithian-2-yl)phenyl]acetamide Formula: C23H24N2O2S2 MolecularWeight: 424.57886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C4SCCCS4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NC3=CC=CC(=C3)C4SCCCS4

InChI

InChI=1S/C23H24N2O2S2/c1-16(26)25-11-10-17-6-2-3-9-20(17)21(25)15-22(27)24-19-8-4-7-18(14-19)23-28-12-5-13-29-23/h2-4,6-11,14,21,23H,5,12-13,15H2,1H3,(H,24,27)