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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[4-(1-pyrrolidinyl)phenyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(4-pyrrolidinobenzyl)acetamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)C2=CC=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O3S/c24-21(15-27-18-7-8-19-20(13-18)26-12-11-25-19)22-14-16-3-5-17(6-4-16)23-9-1-2-10-23/h3-8,13H,1-2,9-12,14-15H2,(H,22,24)