2-[2-[3-(2,2-diphenylethanoylamino)propylsulfanyl]-5-nitro-benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[3-(2,2-diphenylethanoylamino)propylsulfanyl]-5-nitro-benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[3-[(2,2-diphenylacetyl)amino]propylsulfanyl]-5-nitro-benzimidazol-1-yl]acetic acid CAS Name: 2-[5-nitro-2-[3-[(1-oxo-2,2-diphenylethyl)amino]propylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[3-[(2,2-diphenylacetyl)amino]propylsulfanyl]-5-nitrobenzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[3-[(2,2-diphenylacetyl)amino]propylthio]-5-nitro-benzimidazol-1-yl]acetic acid Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCCCSC3=NC4=C(N3CC(=O)O)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NCCCSC3=NC4=C(N3CC(=O)O)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O5S/c31-23(32)17-29-22-13-12-20(30(34)35)16-21(22)28-26(29)36-15-7-14-27-25(33)24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-13,16,24H,7,14-15,17H2,(H,27,33)(H,31,32)