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

Systemtic Name: 4-[[methyl-[4-[4-[[4-(phenylmethyl)piperazin-1-yl]methyl]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[4-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid CAS Name: 4-[[methyl-[4-[4-[[4-(phenylmethyl)-1-piperazinyl]methyl]phenyl]-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]-methylamino]methyl]benzoic acid Traditional Name: 4-[[[4-[4-[(4-benzylpiperazino)methyl]phenyl]thiazol-2-yl]-methyl-amino]methyl]benzoic acid Formula: C30H32N4O2S MolecularWeight: 512.66568

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)CN4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(=O)O)C2=NC(=CS2)C3=CC=C(C=C3)CN4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C30H32N4O2S/c1-32(19-24-9-13-27(14-10-24)29(35)36)30-31-28(22-37-30)26-11-7-25(8-12-26)21-34-17-15-33(16-18-34)20-23-5-3-2-4-6-23/h2-14,22H,15-21H2,1H3,(H,35,36)