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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[2-(2-thienyl)thiazol-4-yl]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-(2-thiophen-2-yl-4-thiazolyl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone Traditional Name: 1-(4-piperonylpiperazino)-2-[2-(2-thienyl)thiazol-4-yl]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)CC4=CSC(=N4)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CC4=CSC(=N4)C5=CC=CS5

InChI

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