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

Systemtic Name: 2-(phenylmethylsulfanyl)-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)ethanamide Openeye Name: 2-benzylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide CAS Name: N-[2-(1-oxopropyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-(2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Traditional Name: 2-(benzylthio)-N-(2-propionyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O2S/c1-2-21(25)23-11-10-17-8-9-19(12-18(17)13-23)22-20(24)15-26-14-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13-15H2,1H3,(H,22,24)