1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanylethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3CCC5=CC=CC=C5

InChI

InChI=1S/C28H30N4O2S/c1-34-24-13-11-23(12-14-24)30-17-19-31(20-18-30)27(33)21-35-28-29-25-9-5-6-10-26(25)32(28)16-15-22-7-3-2-4-8-22/h2-14H,15-21H2,1H3