N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide

Systemtic Name: N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[4-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]valeramide Formula: C21H24N2O4S MolecularWeight: 400.49126

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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)OCO3

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)SC(C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O4S/c1-3-4-5-20(24)22-15-6-9-17(10-7-15)28-14(2)21(25)23-16-8-11-18-19(12-16)27-13-26-18/h6-12,14H,3-5,13H2,1-2H3,(H,22,24)(H,23,25)