4-[3-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]propanoylamino]benzoic acid

Systemtic Name: 4-[3-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]propanoylamino]benzoic acid Openeye Name: 4-[3-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]propanoylamino]benzoic acid CAS Name: 4-[[3-[4-(4-chlorophenyl)-2-phenyl-5-thiazolyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-[4-(4-chlorophenyl)-2-phenyl-1,3-thiazol-5-yl]propanoylamino]benzoic acid Traditional Name: 4-[3-[4-(4-chlorophenyl)-2-phenyl-thiazol-5-yl]propanoylamino]benzoic acid Formula: C25H19ClN2O3S MolecularWeight: 462.94796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(S2)CCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H19ClN2O3S/c26-19-10-6-16(7-11-19)23-21(32-24(28-23)17-4-2-1-3-5-17)14-15-22(29)27-20-12-8-18(9-13-20)25(30)31/h1-13H,14-15H2,(H,27,29)(H,30,31)