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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[methyl(thiophen-3-ylmethyl)amino]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[methyl(3-thienylmethyl)amino]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[methyl(3-thiophenylmethyl)amino]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[methyl(thiophen-3-ylmethyl)amino]ethanone Traditional Name: 2-[methyl(3-thenyl)amino]-1-(4-piperonylpiperazino)ethanone Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CSC=C1)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N3O3S/c1-21(11-17-4-9-27-14-17)13-20(24)23-7-5-22(6-8-23)12-16-2-3-18-19(10-16)26-15-25-18/h2-4,9-10,14H,5-8,11-13,15H2,1H3