3-phenyl-3-[5-(2-thiophen-2-ylethylcarbamoylamino)benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-phenyl-3-[5-(2-thiophen-2-ylethylcarbamoylamino)benzimidazol-1-yl]propanoic acid Openeye Name: 3-phenyl-3-[5-[2-(2-thienyl)ethylcarbamoylamino]benzimidazol-1-yl]propanoic acid CAS Name: 3-[5-[[oxo-(2-thiophen-2-ylethylamino)methyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[5-(2-thiophen-2-ylethylcarbamoylamino)benzimidazol-1-yl]propanoic acid Traditional Name: 3-phenyl-3-[5-[2-(2-thienyl)ethylcarbamoylamino]benzimidazol-1-yl]propionic acid Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)NCCC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)N2C=NC3=C2C=CC(=C3)NC(=O)NCCC4=CC=CS4

InChI

InChI=1S/C23H22N4O3S/c28-22(29)14-21(16-5-2-1-3-6-16)27-15-25-19-13-17(8-9-20(19)27)26-23(30)24-11-10-18-7-4-12-31-18/h1-9,12-13,15,21H,10-11,14H2,(H,28,29)(H2,24,26,30)