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

Systemtic Name: 4-[2-[(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-[(4-methylpiperazin-1-yl)amino]thiazol-4-yl]benzoic acid CAS Name: 4-[2-[(4-methyl-1-piperazinyl)amino]-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-[(4-methylpiperazin-1-yl)amino]-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-[(4-methylpiperazino)amino]thiazol-4-yl]benzoic acid Formula: C15H18N4O2S MolecularWeight: 318.39402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CN1CCN(CC1)NC2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H18N4O2S/c1-18-6-8-19(9-7-18)17-15-16-13(10-22-15)11-2-4-12(5-3-11)14(20)21/h2-5,10H,6-9H2,1H3,(H,16,17)(H,20,21)