4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(phenylthio)ethyl]benzamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-(2-phenylsulfanylethyl)benzamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-N-[2-(phenylthio)ethyl]benzamide Formula: C25H26N2OS MolecularWeight: 402.55174

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC=C(C=C3)C(=O)NCCSC4=CC=CC=C4

InChI

InChI=1S/C25H26N2OS/c28-25(26-15-17-29-24-8-2-1-3-9-24)22-12-10-20(11-13-22)18-27-16-14-21-6-4-5-7-23(21)19-27/h1-13H,14-19H2,(H,26,28)