1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone hydrochloride

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone hydrochloride Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-ethanone hydrochloride CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(1-phenethyl-2-benzimidazolyl)thio]ethanone hydrochloride IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-phenethylbenzimidazol-2-yl)sulfanylethanone hydrochloride Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(1-phenethylbenzimidazol-2-yl)thio]ethanone hydrochloride Formula: C26H27ClN4O3S MolecularWeight: 511.03558

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C(=O)C5=CC=CO5.Cl

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4)C(=O)C5=CC=CO5.Cl

InChI

InChI=1S/C26H26N4O3S.ClH/c31-24(28-14-16-29(17-15-28)25(32)23-11-6-18-33-23)19-34-26-27-21-9-4-5-10-22(21)30(26)13-12-20-7-2-1-3-8-20;/h1-11,18H,12-17,19H2;1H