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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methyl-2-pyrrolyl)ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-2-yl)ethyl]-3-(phenylthio)propionamide Formula: C25H29N3OS MolecularWeight: 419.58226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)CCSC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)CCSC2=CC=CC=C2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C25H29N3OS/c1-27-15-7-12-23(27)24(28-16-13-20-8-5-6-9-21(20)19-28)18-26-25(29)14-17-30-22-10-3-2-4-11-22/h2-12,15,24H,13-14,16-19H2,1H3,(H,26,29)