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

Systemtic Name: 2-[4-[[4-methyl-6-[(4-methyl-2-sulfanyl-pentanoyl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid Openeye Name: 2-[4-[[4-methyl-6-[(4-methyl-2-sulfanyl-pentanoyl)amino]-2-propyl-benzimidazol-1-yl]methyl]phenyl]benzoic acid CAS Name: 2-[4-[[6-[(2-mercapto-4-methyl-1-oxopentyl)amino]-4-methyl-2-propyl-1-benzimidazolyl]methyl]phenyl]benzoic acid IUPAC Name: 2-[4-[[4-methyl-6-[(4-methyl-2-sulfanylpentanoyl)amino]-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid Traditional Name: 2-[4-[[6-[(2-mercapto-4-methyl-pentanoyl)amino]-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(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)NC(=O)C(CC(C)C)S

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)NC(=O)C(CC(C)C)S

InChI

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