2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-(2-phenylsulfanylethyl)ethanamide

Systemtic Name: 2-[(1S)-2-ethanoyl-1H-isoquinolin-1-yl]-N-(2-phenylsulfanylethyl)ethanamide Openeye Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-phenylsulfanylethyl)acetamide CAS Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(phenylthio)ethyl]acetamide IUPAC Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-(2-phenylsulfanylethyl)acetamide Traditional Name: 2-[(1S)-2-acetyl-1H-isoquinolin-1-yl]-N-[2-(phenylthio)ethyl]acetamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2[C@@H]1CC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-16(24)23-13-11-17-7-5-6-10-19(17)20(23)15-21(25)22-12-14-26-18-8-3-2-4-9-18/h2-11,13,20H,12,14-15H2,1H3,(H,22,25)/t20-/m0/s1