4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-[(4-methylpiperazin-1-yl)methyl]thiazol-4-yl]benzoic acid CAS Name: 4-[2-[(4-methyl-1-piperazinyl)methyl]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-[(4-methylpiperazino)methyl]thiazol-4-yl]benzoic acid Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CC2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H19N3O2S/c1-18-6-8-19(9-7-18)10-15-17-14(11-22-15)12-2-4-13(5-3-12)16(20)21/h2-5,11H,6-10H2,1H3,(H,20,21)