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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C2CCCC(=O)C2)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)C2CCCC(=O)C2)C3=CC=C(C=C3)C4=CSC(=N4)N(C)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C32H33N3O3S/c1-34(19-22-6-10-24(11-7-22)27-4-3-5-29(36)18-27)28-16-14-25(15-17-28)30-21-39-32(33-30)35(2)20-23-8-12-26(13-9-23)31(37)38/h6-17,21,27H,3-5,18-20H2,1-2H3,(H,37,38)