4-[[4-(4-benzamidophenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]benzoic acid

Systemtic Name: 4-[[4-(4-benzamidophenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]benzoic acid Openeye Name: 4-[[4-(4-benzamidophenyl)thiazol-2-yl]-isobutyl-amino]benzoic acid CAS Name: 4-[[4-(4-benzamidophenyl)-2-thiazolyl]-(2-methylpropyl)amino]benzoic acid IUPAC Name: 4-[[4-(4-benzamidophenyl)-1,3-thiazol-2-yl]-(2-methylpropyl)amino]benzoic acid Traditional Name: 4-[[4-(4-benzamidophenyl)thiazol-2-yl]-isobutyl-amino]benzoic acid Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)CN(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H25N3O3S/c1-18(2)16-30(23-14-10-21(11-15-23)26(32)33)27-29-24(17-34-27)19-8-12-22(13-9-19)28-25(31)20-6-4-3-5-7-20/h3-15,17-18H,16H2,1-2H3,(H,28,31)(H,32,33)