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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenacylsulfanylthiazol-4-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[2-(phenacylthio)-4-thiazolyl]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-phenacylsulfanyl-1,3-thiazol-4-yl)ethanone Traditional Name: 2-[2-(phenacylthio)thiazol-4-yl]-1-(4-piperonylpiperazino)ethanone Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CSC(=N4)SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CSC(=N4)SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O4S2/c29-21(19-4-2-1-3-5-19)16-34-25-26-20(15-33-25)13-24(30)28-10-8-27(9-11-28)14-18-6-7-22-23(12-18)32-17-31-22/h1-7,12,15H,8-11,13-14,16-17H2