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

Systemtic Name: 1-(3,5-dimethyl-1-benzothiophen-2-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzoylpiperazin-1-yl)-1-(3,5-dimethylbenzothiophen-2-yl)propan-1-one dihydrochloride CAS Name: 3-(4-benzoyl-1-piperazinyl)-1-(3,5-dimethyl-1-benzothiophen-2-yl)-1-propanone dihydrochloride IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-1-(3,5-dimethyl-1-benzothiophen-2-yl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzoylpiperazino)-1-(3,5-dimethylbenzothiophen-2-yl)propan-1-one dihydrochloride Formula: C24H28Cl2N2O2S MolecularWeight: 479.46232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2C)C(=O)CCN3CCN(CC3)C(=O)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2C)C(=O)CCN3CCN(CC3)C(=O)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C24H26N2O2S.2ClH/c1-17-8-9-22-20(16-17)18(2)23(29-22)21(27)10-11-25-12-14-26(15-13-25)24(28)19-6-4-3-5-7-19;;/h3-9,16H,10-15H2,1-2H3;2*1H