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

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(5-chloranylthiophen-2-yl)methyl-methyl-amino]ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(5-chloro-2-thienyl)methyl-methyl-amino]ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-[(5-chloro-2-thiophenyl)methyl-methylamino]ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanone Traditional Name: 2-[(5-chloro-2-thienyl)methyl-methyl-amino]-1-(4-piperonylpiperazino)ethanone Formula: C20H24ClN3O3S MolecularWeight: 421.94086

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=C(S1)Cl)CC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H24ClN3O3S/c1-22(12-16-3-5-19(21)28-16)13-20(25)24-8-6-23(7-9-24)11-15-2-4-17-18(10-15)27-14-26-17/h2-5,10H,6-9,11-14H2,1H3