N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(phenylmethylsulfanyl)ethanamide

Systemtic Name: N-(2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-benzylsulfanyl-acetamide CAS Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(phenylmethylthio)acetamide IUPAC Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-benzylsulfanylacetamide Traditional Name: N-(2-acetyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(benzylthio)acetamide Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O2S/c1-15(23)22-10-9-17-7-8-19(11-18(17)12-22)21-20(24)14-25-13-16-5-3-2-4-6-16/h2-8,11H,9-10,12-14H2,1H3,(H,21,24)