2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]benzoate CAS Name: 2-[oxo-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinyl]methyl]benzoate IUPAC Name: 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]benzoate Traditional Name: 2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carbonyl]benzoate Formula: C20H17N4O3S- MolecularWeight: 393.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)[O-]

InChI

InChI=1S/C20H18N4O3S/c25-18(15-8-4-5-9-16(15)19(26)27)23-10-12-24(13-11-23)20-21-17(22-28-20)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,26,27)/p-1