N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-yl-ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thiophenyl)ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiophen-3-ylethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-thienyl)ethyl]-3-(phenylthio)propionamide Formula: C24H26N2OS2 MolecularWeight: 422.60604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(CNC(=O)CCSC3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(CNC(=O)CCSC3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C24H26N2OS2/c27-24(12-15-29-22-8-2-1-3-9-22)25-16-23(21-11-14-28-18-21)26-13-10-19-6-4-5-7-20(19)17-26/h1-9,11,14,18,23H,10,12-13,15-17H2,(H,25,27)