3,5-bis[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid

Systemtic Name: 3,5-bis[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid Openeye Name: 3,5-bis[[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid CAS Name: 3,5-bis[[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid Traditional Name: 3,5-bis[[2-[(5-methyl-2,3-dihydro-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid Formula: C27H28N6O4S2 MolecularWeight: 564.67902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)CSC4NC5=C(N4)C=C(C=C5)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(N2)SCC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)CSC4NC5=C(N4)C=C(C=C5)C

InChI

InChI=1S/C27H28N6O4S2/c1-14-3-5-19-21(7-14)32-26(30-19)38-12-23(34)28-17-9-16(25(36)37)10-18(11-17)29-24(35)13-39-27-31-20-6-4-15(2)8-22(20)33-27/h3-11,26-27,30-33H,12-13H2,1-2H3,(H,28,34)(H,29,35)(H,36,37)