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

Systemtic Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[methyl(piperonyl)amino]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)CC(=O)N3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C20H23N3O4S/c1-21(12-15-4-5-16-17(11-15)27-14-26-16)13-19(24)22-6-8-23(9-7-22)20(25)18-3-2-10-28-18/h2-5,10-11H,6-9,12-14H2,1H3