2-[4-[[4-methyl-2-propyl-6-[(2-sulfanylpentanoylamino)methyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid

Systemtic Name: 2-[4-[[4-methyl-2-propyl-6-[(2-sulfanylpentanoylamino)methyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-methyl-2-propyl-6-[(2-sulfanylpentanoylamino)methyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-[[(2-mercapto-1-oxopentyl)amino]methyl]-4-methyl-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-methyl-2-propyl-6-[(2-sulfanylpentanoylamino)methyl]benzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-[(2-mercaptopentanoylamino)methyl]-4-methyl-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Formula: C31H35N3O3S MolecularWeight: 529.6929

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)CNC(=O)C(CCC)S)C

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)CNC(=O)C(CCC)S)C

InChI

InChI=1S/C31H35N3O3S/c1-4-8-27(38)30(35)32-18-22-16-20(3)29-26(17-22)34(28(33-29)9-5-2)19-21-12-14-23(15-13-21)24-10-6-7-11-25(24)31(36)37/h6-7,10-17,27,38H,4-5,8-9,18-19H2,1-3H3,(H,32,35)(H,36,37)