4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-(3-phenylpropanoyl)amino]benzoic acid

Systemtic Name: 4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-(3-phenylpropanoyl)amino]benzoic acid Openeye Name: 4-[(5-methyl-4-phenyl-thiazol-2-yl)-(3-phenylpropanoyl)amino]benzoic acid CAS Name: 4-[(5-methyl-4-phenyl-2-thiazolyl)-(1-oxo-3-phenylpropyl)amino]benzoic acid IUPAC Name: 4-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)-(3-phenylpropanoyl)amino]benzoic acid Traditional Name: 4-[hydrocinnamoyl-(5-methyl-4-phenyl-thiazol-2-yl)amino]benzoic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)N(C2=CC=C(C=C2)C(=O)O)C(=O)CCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=C(S1)N(C2=CC=C(C=C2)C(=O)O)C(=O)CCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N2O3S/c1-18-24(20-10-6-3-7-11-20)27-26(32-18)28(22-15-13-21(14-16-22)25(30)31)23(29)17-12-19-8-4-2-5-9-19/h2-11,13-16H,12,17H2,1H3,(H,30,31)