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

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]pentanamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylphenyl]pentanamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]phenyl]pentanamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylphenyl]pentanamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]phenyl]valeramide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-2-3-7-19(23)21-14-5-4-6-16(10-14)27-12-20(24)22-15-8-9-17-18(11-15)26-13-25-17/h4-6,8-11H,2-3,7,12-13H2,1H3,(H,21,23)(H,22,24)