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

Systemtic Name: 4-[[methyl-[4-[4-[methyl-[[4-(4-oxidanylidenecyclohexyl)phenyl]methyl]amino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[methyl-[4-[4-[methyl-[[4-(4-oxocyclohexyl)phenyl]methyl]amino]phenyl]thiazol-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[methyl-[4-[4-[methyl-[[4-(4-oxocyclohexyl)phenyl]methyl]amino]phenyl]-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 4-[[methyl-[4-[4-[methyl-[[4-(4-oxocyclohexyl)phenyl]methyl]amino]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[[4-(4-ketocyclohexyl)benzyl]-methyl-amino]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C32H33N3O3S MolecularWeight: 539.68772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C2CCC(=O)CC2)C3=CC=C(C=C3)C4=CSC(=N4)N(C)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)C2CCC(=O)CC2)C3=CC=C(C=C3)C4=CSC(=N4)N(C)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C32H33N3O3S/c1-34(19-22-3-7-24(8-4-22)25-13-17-29(36)18-14-25)28-15-11-26(12-16-28)30-21-39-32(33-30)35(2)20-23-5-9-27(10-6-23)31(37)38/h3-12,15-16,21,25H,13-14,17-20H2,1-2H3,(H,37,38)