1-(2-ethylpiperidin-1-yl)-2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]ethanone

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]ethanone Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[2-(5-nitro-2-thienyl)benzimidazol-1-yl]ethanone CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[2-(5-nitro-2-thiophenyl)-1-benzimidazolyl]ethanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[2-(5-nitrothiophen-2-yl)benzimidazol-1-yl]ethanone Traditional Name: 1-(2-ethylpiperidino)-2-[2-(5-nitro-2-thienyl)benzimidazol-1-yl]ethanone Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CN2C3=CC=CC=C3N=C2C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

CCC1CCCCN1C(=O)CN2C3=CC=CC=C3N=C2C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-2-14-7-5-6-12-22(14)18(25)13-23-16-9-4-3-8-15(16)21-20(23)17-10-11-19(28-17)24(26)27/h3-4,8-11,14H,2,5-7,12-13H2,1H3