2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-N-[2-(methylthio)phenyl]acetamide Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CN2CCCC2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O3S/c1-28-21-8-3-2-6-17(21)23-22(25)15-24-11-4-7-18(24)16-9-10-19-20(14-16)27-13-5-12-26-19/h2-3,6,8-10,14,18H,4-5,7,11-13,15H2,1H3,(H,23,25)