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

Systemtic Name: 2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanoyl-methyl-amino]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methyl-amino]-N-(2-ethylphenyl)acetamide CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-oxoethyl]-methylamino]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetyl]-methylamino]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetyl]-methyl-amino]-N-(2-ethylphenyl)acetamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN(C)C(=O)CSC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H24N2O4S/c1-3-15-6-4-5-7-17(15)22-20(24)13-23(2)21(25)14-28-16-8-9-18-19(12-16)27-11-10-26-18/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,22,24)