3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl-(phenylmethyl)amino]propanamide

Systemtic Name: 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]propanamide CAS Name: 3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]amino]propanamide Traditional Name: 3-[benzyl-[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]amino]propionamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N2O4S/c21-19(23)8-9-22(13-15-4-2-1-3-5-15)20(24)14-27-16-6-7-17-18(12-16)26-11-10-25-17/h1-7,12H,8-11,13-14H2,(H2,21,23)