1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(phenylmethylsulfanyl)propan-1-one Openeye Name: 3-benzylsulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(phenylmethylthio)-1-propanone IUPAC Name: 3-benzylsulfanyl-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-(benzylthio)-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-25-20-9-7-19(8-10-20)22-12-14-23(15-13-22)21(24)11-16-26-17-18-5-3-2-4-6-18/h2-10H,11-17H2,1H3