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

Systemtic Name: 4-[2-[methyl-(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-[methyl-(4-methylpiperazin-1-yl)amino]thiazol-4-yl]benzoic acid CAS Name: 4-[2-[methyl-(4-methyl-1-piperazinyl)amino]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[methyl-(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-[methyl-(4-methylpiperazino)amino]thiazol-4-yl]benzoic acid Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)N(C)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)N(C)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H20N4O2S/c1-18-7-9-20(10-8-18)19(2)16-17-14(11-23-16)12-3-5-13(6-4-12)15(21)22/h3-6,11H,7-10H2,1-2H3,(H,21,22)