2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-ethyl-2-benzimidazolyl)thio]-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-[(1-ethylbenzimidazol-2-yl)thio]-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-2-25-19-6-4-3-5-18(19)22-21(25)30-15-20(27)24-13-11-23(12-14-24)16-7-9-17(10-8-16)26(28)29/h3-10H,2,11-15H2,1H3