2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl-propyl-amino]-N-(2-methoxyphenyl)ethanamide

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl-propyl-amino]-N-(2-methoxyphenyl)ethanamide Openeye Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-propyl-amino]-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-propylamino]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-propylamino]-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-propyl-amino]-N-(2-methoxyphenyl)acetamide Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O5S/c1-3-10-24(14-21(25)23-17-6-4-5-7-18(17)27-2)22(26)15-30-16-8-9-19-20(13-16)29-12-11-28-19/h4-9,13H,3,10-12,14-15H2,1-2H3,(H,23,25)