2-(6-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-pentyl-hexanamide

Systemtic Name: 2-(6-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-pentyl-hexanamide Openeye Name: 2-(6-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-pentyl-hexanamide CAS Name: 2-[6-(methylthio)-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-pentylhexanamide IUPAC Name: 2-(6-methylsulfanyl-1,2,3,4-tetrahydroisoquinolin-1-yl)-N-pentylhexanamide Traditional Name: N-amyl-2-[6-(methylthio)-1,2,3,4-tetrahydroisoquinolin-1-yl]hexanamide Formula: C21H34N2OS MolecularWeight: 362.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(CCCC)C1C2=C(CCN1)C=C(C=C2)SC

Isomeric SMILES

CCCCCNC(=O)C(CCCC)C1C2=C(CCN1)C=C(C=C2)SC

InChI

InChI=1S/C21H34N2OS/c1-4-6-8-13-23-21(24)19(9-7-5-2)20-18-11-10-17(25-3)15-16(18)12-14-22-20/h10-11,15,19-20,22H,4-9,12-14H2,1-3H3,(H,23,24)