2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(N1C3=CC=CC=C3OC)C=CC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O4S/c1-4-7-14(2)22-20(26)13-30-21-23-16-12-15(25(27)28)10-11-17(16)24(21)18-8-5-6-9-19(18)29-3/h5-6,8-12,14H,4,7,13H2,1-3H3,(H,22,26)/t14-/m0/s1