2-[[2-(2-methylphenyl)-4-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(6-nitro-1H-benzimidazol-2-yl)thio]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(6-nitro-1H-benzimidazol-2-yl)sulfanyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-[(6-nitro-1H-benzimidazol-2-yl)thio]-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C26H24N4O5S2 MolecularWeight: 536.62256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)SC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-])C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C26H24N4O5S2/c1-15-5-3-4-6-18(15)20-14-17(8-9-19(20)24(31)27-22(25(32)33)11-12-36-2)37-26-28-21-10-7-16(30(34)35)13-23(21)29-26/h3-10,13-14,22H,11-12H2,1-2H3,(H,27,31)(H,28,29)(H,32,33)