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

Systemtic Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-butan-2-yl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylsulfanyl]phenyl]pentanamide CAS Name: N-[3-[[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]thio]phenyl]pentanamide IUPAC Name: N-[3-[1-(1,3-benzodioxol-5-ylamino)-1-oxobutan-2-yl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[1-(1,3-benzodioxol-5-ylcarbamoyl)propylthio]phenyl]valeramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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