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

Systemtic Name: 4-[[4-[4-[(4-cyclohexylphenyl)carbonylamino]phenyl]-1,3-thiazol-2-yl]-propan-2-yl-amino]benzoic acid Openeye Name: 4-[[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid CAS Name: 4-[[4-[4-[[(4-cyclohexylphenyl)-oxomethyl]amino]phenyl]-2-thiazolyl]-propan-2-ylamino]benzoic acid IUPAC Name: 4-[[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]-1,3-thiazol-2-yl]-propan-2-ylamino]benzoic acid Traditional Name: 4-[[4-[4-[(4-cyclohexylbenzoyl)amino]phenyl]thiazol-2-yl]-isopropyl-amino]benzoic acid Formula: C32H33N3O3S MolecularWeight: 539.68772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C5CCCCC5

Isomeric SMILES

CC(C)N(C1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C5CCCCC5

InChI

InChI=1S/C32H33N3O3S/c1-21(2)35(28-18-14-26(15-19-28)31(37)38)32-34-29(20-39-32)24-12-16-27(17-13-24)33-30(36)25-10-8-23(9-11-25)22-6-4-3-5-7-22/h8-22H,3-7H2,1-2H3,(H,33,36)(H,37,38)