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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-3-(4-phenylsulfanylphenyl)propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-phenylsulfanylphenyl)propan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-3-[4-(phenylthio)phenyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-phenylsulfanylphenyl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-[4-(phenylthio)phenyl]propan-1-one Formula: C26H28N2OS MolecularWeight: 416.57832

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCC3=CC=C(C=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H28N2OS/c29-26(28-19-17-27(18-20-28)21-23-7-3-1-4-8-23)16-13-22-11-14-25(15-12-22)30-24-9-5-2-6-10-24/h1-12,14-15H,13,16-21H2