2-(1-phenylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(1-phenylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-phenylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-phenyl-2-benzimidazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-phenylbenzimidazol-2-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-phenylbenzimidazol-2-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NC4=CC=CC=C4N3C5=CC=CC=C5

InChI

InChI=1S/C23H22N6OS/c30-21(27-13-15-28(16-14-27)22-24-11-6-12-25-22)17-31-23-26-19-9-4-5-10-20(19)29(23)18-7-2-1-3-8-18/h1-12H,13-17H2