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

Systemtic Name: 4-[[4-[4-(cyclohexylcarbonylamino)phenyl]-1,3-thiazol-2-yl]-ethyl-amino]benzoic acid Openeye Name: 4-[[4-[4-(cyclohexanecarbonylamino)phenyl]thiazol-2-yl]-ethyl-amino]benzoic acid CAS Name: 4-[[4-[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-2-thiazolyl]-ethylamino]benzoic acid IUPAC Name: 4-[[4-[4-(cyclohexanecarbonylamino)phenyl]-1,3-thiazol-2-yl]-ethylamino]benzoic acid Traditional Name: 4-[[4-[4-(cyclohexanecarbonylamino)phenyl]thiazol-2-yl]-ethyl-amino]benzoic acid Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4CCCCC4

Isomeric SMILES

CCN(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4CCCCC4

InChI

InChI=1S/C25H27N3O3S/c1-2-28(21-14-10-19(11-15-21)24(30)31)25-27-22(16-32-25)17-8-12-20(13-9-17)26-23(29)18-6-4-3-5-7-18/h8-16,18H,2-7H2,1H3,(H,26,29)(H,30,31)