1-(4-methylsulfanylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride

Systemtic Name: 1-(4-methylsulfanylphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propan-1-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)propan-1-one dihydrochloride CAS Name: 1-[4-(methylthio)phenyl]-3-[4-(phenylmethyl)-1-piperazinyl]-1-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-(4-methylsulfanylphenyl)propan-1-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-[4-(methylthio)phenyl]propan-1-one dihydrochloride Formula: C21H28Cl2N2OS MolecularWeight: 427.43082

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)CC3=CC=CC=C3.Cl.Cl

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)CC3=CC=CC=C3.Cl.Cl

InChI

InChI=1S/C21H26N2OS.2ClH/c1-25-20-9-7-19(8-10-20)21(24)11-12-22-13-15-23(16-14-22)17-18-5-3-2-4-6-18;;/h2-10H,11-17H2,1H3;2*1H