1-(3,5-dimethylthiophen-2-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(3,5-dimethylthiophen-2-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-(3,5-dimethyl-2-thienyl)propan-1-one dihydrochloride CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-(3,5-dimethyl-2-thiophenyl)-1-propanone dihydrochloride IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-(3,5-dimethylthiophen-2-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzoylpiperazino)-1-(3,5-dimethyl-2-thienyl)propan-1-one dihydrochloride Formula: C20H26Cl2N2O2S MolecularWeight: 429.40364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C(=O)CCN2CCN(CC2)C(=O)C3=CC=CC=C3)C.Cl.Cl

Isomeric SMILES

CC1=CC(=C(S1)C(=O)CCN2CCN(CC2)C(=O)C3=CC=CC=C3)C.Cl.Cl

InChI

InChI=1S/C20H24N2O2S.2ClH/c1-15-14-16(2)25-19(15)18(23)8-9-21-10-12-22(13-11-21)20(24)17-6-4-3-5-7-17;;/h3-7,14H,8-13H2,1-2H3;2*1H