3-[[4-[4-[(4-cyclohexylphenyl)carbonylamino]phenyl]-1,3-thiazol-2-yl]amino]benzoic acid

Systemtic Name: 3-[[4-[4-[(4-cyclohexylphenyl)carbonylamino]phenyl]-1,3-thiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]thiazol-2-yl]amino]benzoic acid CAS Name: 3-[[4-[4-[[(4-cyclohexylphenyl)-oxomethyl]amino]phenyl]-2-thiazolyl]amino]benzoic acid IUPAC Name: 3-[[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]-1,3-thiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]thiazol-2-yl]amino]benzoic acid Formula: C29H27N3O3S MolecularWeight: 497.60798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)NC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=CSC(=N4)NC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C29H27N3O3S/c33-27(22-11-9-20(10-12-22)19-5-2-1-3-6-19)30-24-15-13-21(14-16-24)26-18-36-29(32-26)31-25-8-4-7-23(17-25)28(34)35/h4,7-19H,1-3,5-6H2,(H,30,33)(H,31,32)(H,34,35)