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

Systemtic Name: 4-[[4-(3-methylphenyl)-5-pyrimidin-4-yl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Openeye Name: 4-[[4-(m-tolyl)-5-pyrimidin-4-yl-thiazol-2-yl]carbamoyl]benzoic acid CAS Name: 4-[[[4-(3-methylphenyl)-5-(4-pyrimidinyl)-2-thiazolyl]amino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-(3-methylphenyl)-5-pyrimidin-4-yl-1,3-thiazol-2-yl]carbamoyl]benzoic acid Traditional Name: 4-[[4-(m-tolyl)-5-(4-pyrimidyl)thiazol-2-yl]carbamoyl]benzoic acid Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O3S/c1-13-3-2-4-16(11-13)18-19(17-9-10-23-12-24-17)30-22(25-18)26-20(27)14-5-7-15(8-6-14)21(28)29/h2-12H,1H3,(H,28,29)(H,25,26,27)