2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfanyl-1-[4-(diphenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanyl-ethanone CAS Name: 2-[(3,4-dimethoxyphenyl)thio]-1-[4-(diphenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(3,4-dimethoxyphenyl)sulfanylethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[(3,4-dimethoxyphenyl)thio]ethanone Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C27H30N2O3S/c1-31-24-14-13-23(19-25(24)32-2)33-20-26(30)28-15-17-29(18-16-28)27(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,19,27H,15-18,20H2,1-2H3