2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[2-(pyrrolidinomethyl)benzyl]acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C22H26N2O3S/c25-22(16-28-19-7-8-20-21(13-19)27-12-11-26-20)23-14-17-5-1-2-6-18(17)15-24-9-3-4-10-24/h1-2,5-8,13H,3-4,9-12,14-16H2,(H,23,25)