4-[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]carbamoyl]benzoic acid

Systemtic Name: 4-[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]carbamoyl]benzoic acid Openeye Name: 4-[[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]carbamoyl]benzoic acid CAS Name: 4-[[4-methyl-3-[[4-(3-pyridinyl)-2-thiazolyl]amino]anilino]-oxomethyl]benzoic acid IUPAC Name: 4-[[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]carbamoyl]benzoic acid Traditional Name: 4-[[4-methyl-3-[[4-(3-pyridyl)thiazol-2-yl]amino]phenyl]carbamoyl]benzoic acid Formula: C23H18N4O3S MolecularWeight: 430.47902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)O)NC3=NC(=CS3)C4=CN=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(=O)O)NC3=NC(=CS3)C4=CN=CC=C4

InChI

InChI=1S/C23H18N4O3S/c1-14-4-9-18(25-21(28)15-5-7-16(8-6-15)22(29)30)11-19(14)26-23-27-20(13-31-23)17-3-2-10-24-12-17/h2-13H,1H3,(H,25,28)(H,26,27)(H,29,30)