4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid

Systemtic Name: 4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid Openeye Name: 4-[2-(4-tert-butylpiperazin-1-yl)thiazol-4-yl]benzoic acid CAS Name: 4-[2-(4-tert-butyl-1-piperazinyl)-4-thiazolyl]benzoic acid IUPAC Name: 4-[2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid Traditional Name: 4-[2-(4-tert-butylpiperazino)thiazol-4-yl]benzoic acid Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)N1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C18H23N3O2S/c1-18(2,3)21-10-8-20(9-11-21)17-19-15(12-24-17)13-4-6-14(7-5-13)16(22)23/h4-7,12H,8-11H2,1-3H3,(H,22,23)