N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-1-benzofuran-2-carboxamide Openeye Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-methylsulfanyl-propyl]benzofuran-2-carboxamide CAS Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-benzofurancarboxamide IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-1-benzofuran-2-carboxamide Traditional Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-3-(methylthio)propyl]coumarilamide Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CSCCC(C(=O)NC1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O5S/c1-30-11-8-16(24-22(26)20-12-14-4-2-3-5-17(14)29-20)21(25)23-15-6-7-18-19(13-15)28-10-9-27-18/h2-7,12-13,16H,8-11H2,1H3,(H,23,25)(H,24,26)