4-(1,2-benzothiazol-3-ylcarbonyl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-(1,2-benzothiazol-3-ylcarbonyl)-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide CAS Name: 4-[1,2-benzothiazol-3-yl(oxo)methyl]-N-(3-chloro-4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-(1,2-benzothiazole-3-carbonyl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide Formula: C19H16ClFN4O2S MolecularWeight: 418.872343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NSC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=NSC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C19H16ClFN4O2S/c20-14-11-12(5-6-15(14)21)22-19(27)25-9-7-24(8-10-25)18(26)17-13-3-1-2-4-16(13)28-23-17/h1-6,11H,7-10H2,(H,22,27)