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

Systemtic Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thio]phenyl]pentanamide IUPAC Name: N-[3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]thio]phenyl]valeramide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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