N-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: N-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[4-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]valeramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H26N2O4S/c1-3-4-5-21(25)23-16-6-9-18(10-7-16)29-15(2)22(26)24-17-8-11-19-20(14-17)28-13-12-27-19/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,25)(H,24,26)