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

Systemtic Name: N-[2-(phenylcarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-benzylsulfanyl-acetamide CAS Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(phenylmethylthio)acetamide IUPAC Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-benzylsulfanylacetamide Traditional Name: N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(benzylthio)acetamide Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)CSCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)CSCC3=CC=CC=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H24N2O2S/c28-24(18-30-17-19-7-3-1-4-8-19)26-23-12-11-20-13-14-27(16-22(20)15-23)25(29)21-9-5-2-6-10-21/h1-12,15H,13-14,16-18H2,(H,26,28)