2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanylethanamide

Systemtic Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanylethanamide Openeye Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide CAS Name: 2-[[2-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]thio]acetamide IUPAC Name: 2-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: 2-[[2-(4-piperonylpiperazine-1-carbonyl)phenyl]thio]acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SCC(=O)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC=CC=C4SCC(=O)N

InChI

InChI=1S/C21H23N3O4S/c22-20(25)13-29-19-4-2-1-3-16(19)21(26)24-9-7-23(8-10-24)12-15-5-6-17-18(11-15)28-14-27-17/h1-6,11H,7-10,12-14H2,(H2,22,25)