2-(2-heptylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid

Systemtic Name: 2-(2-heptylsulfanylbenzimidazol-1-yl)carbonylbenzoic acid Openeye Name: 2-(2-heptylsulfanylbenzimidazole-1-carbonyl)benzoic acid CAS Name: 2-[[2-(heptylthio)-1-benzimidazolyl]-oxomethyl]benzoic acid IUPAC Name: 2-(2-heptylsulfanylbenzimidazole-1-carbonyl)benzoic acid Traditional Name: 2-[2-(heptylthio)benzimidazole-1-carbonyl]benzoic acid Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CCCCCCCSC1=NC2=CC=CC=C2N1C(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C22H24N2O3S/c1-2-3-4-5-10-15-28-22-23-18-13-8-9-14-19(18)24(22)20(25)16-11-6-7-12-17(16)21(26)27/h6-9,11-14H,2-5,10,15H2,1H3,(H,26,27)