4-[[[4-[2-[(4-cyclohexylphenyl)methyl-methyl-amino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[2-[(4-cyclohexylphenyl)methyl-methyl-amino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-methyl-amino]methyl]benzoic acid Openeye Name: 4-[[[4-[2-[(4-cyclohexylphenyl)methyl-methyl-amino]-4-methyl-thiazol-5-yl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[[4-[2-[(4-cyclohexylphenyl)methyl-methylamino]-4-methyl-5-thiazolyl]-2-thiazolyl]-methylamino]methyl]benzoic acid IUPAC Name: 4-[[[4-[2-[(4-cyclohexylphenyl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[2-[(4-cyclohexylbenzyl)-methyl-amino]-4-methyl-thiazol-5-yl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C30H34N4O2S2 MolecularWeight: 546.74656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)N(C)CC2=CC=C(C=C2)C3CCCCC3)C4=CSC(=N4)N(C)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)N(C)CC2=CC=C(C=C2)C3CCCCC3)C4=CSC(=N4)N(C)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C30H34N4O2S2/c1-20-27(26-19-37-29(32-26)33(2)17-22-11-15-25(16-12-22)28(35)36)38-30(31-20)34(3)18-21-9-13-24(14-10-21)23-7-5-4-6-8-23/h9-16,19,23H,4-8,17-18H2,1-3H3,(H,35,36)