3-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]carbamoyl]benzoic acid

Systemtic Name: 3-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 3-[[4-(3,5-dimethylphenyl)-5-(4-pyridyl)thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 3-[[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 3-[[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 3-[[4-(3,5-dimethylphenyl)-5-(4-pyridyl)thiazol-2-yl]carbamoyl]benzoic acid Formula: C24H19N3O3S MolecularWeight: 429.49096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CC(=CC=C3)C(=O)O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(SC(=N2)NC(=O)C3=CC(=CC=C3)C(=O)O)C4=CC=NC=C4)C

InChI

InChI=1S/C24H19N3O3S/c1-14-10-15(2)12-19(11-14)20-21(16-6-8-25-9-7-16)31-24(26-20)27-22(28)17-4-3-5-18(13-17)23(29)30/h3-13H,1-2H3,(H,29,30)(H,26,27,28)