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2-[2-[3-(3,3-diphenylpropanoylamino)propylsulfanyl]benzimidazol-1-yl]ethanoic acid

2-[2-[3-(3,3-diphenylpropanoylamino)propylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name:2-[2-[3-(3,3-diphenylpropanoylamino)propylsulfanyl]benzimidazol-1-yl]ethanoic acid
Openeye Name:2-[2-[3-(3,3-diphenylpropanoylamino)propylsulfanyl]benzimidazol-1-yl]acetic acid
CAS Name:2-[2-[3-[(1-oxo-3,3-diphenylpropyl)amino]propylthio]-1-benzimidazolyl]acetic acid
IUPAC Name:2-[2-[3-(3,3-diphenylpropanoylamino)propylsulfanyl]benzimidazol-1-yl]acetic acid
Traditional Name:2-[2-[3-(3,3-diphenylpropanoylamino)propylthio]benzimidazol-1-yl]acetic acid
Formula: C27H27N3O3S
MolecularWeight: 473.58658
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)NCCCSC2=NC3=CC=CC=C3N2CC(=O)O)C4=CC=CC=C4


Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)NCCCSC2=NC3=CC=CC=C3N2CC(=O)O)C4=CC=CC=C4


InChI

InChI=1S/C27H27N3O3S/c31-25(18-22(20-10-3-1-4-11-20)21-12-5-2-6-13-21)28-16-9-17-34-27-29-23-14-7-8-15-24(23)30(27)19-26(32)33/h1-8,10-15,22H,9,16-19H2,(H,28,31)(H,32,33)


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