2-(3-azanyl-2-oxidanyl-4-phenylsulfanyl-butyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-(3-azanyl-2-oxidanyl-4-phenylsulfanyl-butyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-(3-amino-2-hydroxy-4-phenylsulfanyl-butyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[3-amino-2-hydroxy-4-(phenylthio)butyl]-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-(3-amino-2-hydroxy-4-phenylsulfanylbutyl)-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[3-amino-2-hydroxy-4-(phenylthio)butyl]-N-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CC2CCCCC2CN1CC(C(CSC3=CC=CC=C3)N)O

Isomeric SMILES

CNC(=O)C1CC2CCCCC2CN1CC(C(CSC3=CC=CC=C3)N)O

InChI

InChI=1S/C21H33N3O2S/c1-23-21(26)19-11-15-7-5-6-8-16(15)12-24(19)13-20(25)18(22)14-27-17-9-3-2-4-10-17/h2-4,9-10,15-16,18-20,25H,5-8,11-14,22H2,1H3,(H,23,26)