1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(1,3-benzothiazol-2-ylthio)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-piperonylpiperazino)ethanone Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H21N3O3S2/c25-20(13-28-21-22-16-3-1-2-4-19(16)29-21)24-9-7-23(8-10-24)12-15-5-6-17-18(11-15)27-14-26-17/h1-6,11H,7-10,12-14H2