4-bromanyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid

Systemtic Name: 4-bromanyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid Openeye Name: 4-bromo-2-(4-thiazol-2-ylpiperazin-1-yl)benzoic acid CAS Name: 4-bromo-2-[4-(2-thiazolyl)-1-piperazinyl]benzoic acid IUPAC Name: 4-bromo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]benzoic acid Traditional Name: 4-bromo-2-(4-thiazol-2-ylpiperazino)benzoic acid Formula: C14H14BrN3O2S MolecularWeight: 368.24886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC(=C2)Br)C(=O)O)C3=NC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC(=C2)Br)C(=O)O)C3=NC=CS3

InChI

InChI=1S/C14H14BrN3O2S/c15-10-1-2-11(13(19)20)12(9-10)17-4-6-18(7-5-17)14-16-3-8-21-14/h1-3,8-9H,4-7H2,(H,19,20)