2-[[1-[[2-(phenylcarbamoyl)phenyl]methylsulfanyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-[[1-[[2-(phenylcarbamoyl)phenyl]methylsulfanyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 2-[[1-[[2-(phenylcarbamoyl)phenyl]methylsulfanyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 2-[[[1-[[2-[anilino(oxo)methyl]phenyl]methylthio]-2-benzimidazolyl]thio]methyl]benzoic acid IUPAC Name: 2-[[1-[[2-(phenylcarbamoyl)phenyl]methylsulfanyl]benzimidazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 2-[[[1-[[2-(phenylcarbamoyl)benzyl]thio]benzimidazol-2-yl]thio]methyl]benzoic acid Formula: C29H23N3O3S2 MolecularWeight: 525.64122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CSN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2CSN3C4=CC=CC=C4N=C3SCC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C29H23N3O3S2/c33-27(30-22-12-2-1-3-13-22)23-14-6-4-11-21(23)19-37-32-26-17-9-8-16-25(26)31-29(32)36-18-20-10-5-7-15-24(20)28(34)35/h1-17H,18-19H2,(H,30,33)(H,34,35)