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

Systemtic Name: 4-[[methyl-[4-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Openeye Name: 4-[[methyl-[4-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thiazol-2-yl]amino]methyl]benzoic acid CAS Name: 4-[[methyl-[4-[4-[(4-phenyl-1-piperazinyl)methyl]phenyl]-2-thiazolyl]amino]methyl]benzoic acid IUPAC Name: 4-[[methyl-[4-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-2-yl]amino]methyl]benzoic acid Traditional Name: 4-[[methyl-[4-[4-[(4-phenylpiperazino)methyl]phenyl]thiazol-2-yl]amino]methyl]benzoic acid Formula: C29H30N4O2S MolecularWeight: 498.6391

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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)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O2S/c1-31(19-22-9-13-25(14-10-22)28(34)35)29-30-27(21-36-29)24-11-7-23(8-12-24)20-32-15-17-33(18-16-32)26-5-3-2-4-6-26/h2-14,21H,15-20H2,1H3,(H,34,35)