2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]amino]benzoic acid CAS Name: 2-[[[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]amino]benzoic acid Traditional Name: 2-[[4-(1,2-benzothiazol-3-yl)piperazine-1-carbonyl]amino]benzoic acid Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NSC3=CC=CC=C32)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C19H18N4O3S/c24-18(25)13-5-1-3-7-15(13)20-19(26)23-11-9-22(10-12-23)17-14-6-2-4-8-16(14)27-21-17/h1-8H,9-12H2,(H,20,26)(H,24,25)