4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(phenylmethylsulfanyl)ethyl]benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(phenylmethylsulfanyl)ethyl]benzamide Openeye Name: N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(phenylmethylthio)ethyl]benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Traditional Name: N-[2-(benzylthio)ethyl]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSCC4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c29-26(27-15-17-30-20-22-6-2-1-3-7-22)24-12-10-21(11-13-24)18-28-16-14-23-8-4-5-9-25(23)19-28/h1-13H,14-20H2,(H,27,29)