2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[[1-(4-fluorophenyl)-5-nitro-2-benzimidazolyl]thio]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[1-(4-fluorophenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[1-(4-fluorophenyl)-5-nitro-benzimidazol-2-yl]thio]-1-[(3S)-3-methylpiperidino]ethanone Formula: C21H21FN4O3S MolecularWeight: 428.479843

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=C(N2C4=CC=C(C=C4)F)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H21FN4O3S/c1-14-3-2-10-24(12-14)20(27)13-30-21-23-18-11-17(26(28)29)8-9-19(18)25(21)16-6-4-15(22)5-7-16/h4-9,11,14H,2-3,10,12-13H2,1H3/t14-/m0/s1