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

Systemtic Name: 4-[[4-(2,4-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 4-[[4-(2,4-dimethylphenyl)-5-propyl-thiazol-2-yl]amino]benzoic acid CAS Name: 4-[[4-(2,4-dimethylphenyl)-5-propyl-2-thiazolyl]amino]benzoic acid IUPAC Name: 4-[[4-(2,4-dimethylphenyl)-5-propyl-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 4-[[4-(2,4-dimethylphenyl)-5-propyl-thiazol-2-yl]amino]benzoic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N=C(S1)NC2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCC1=C(N=C(S1)NC2=CC=C(C=C2)C(=O)O)C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H22N2O2S/c1-4-5-18-19(17-11-6-13(2)12-14(17)3)23-21(26-18)22-16-9-7-15(8-10-16)20(24)25/h6-12H,4-5H2,1-3H3,(H,22,23)(H,24,25)