4-[2-(1-benzothiophen-3-yl)ethanoyl]-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxamide

Systemtic Name: 4-[2-(1-benzothiophen-3-yl)ethanoyl]-N-(3-chloranyl-4-fluoranyl-phenyl)piperazine-1-carboxamide Openeye Name: 4-[2-(benzothiophen-3-yl)acetyl]-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide CAS Name: 4-[2-(1-benzothiophen-3-yl)-1-oxoethyl]-N-(3-chloro-4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[2-(1-benzothiophen-3-yl)acetyl]-N-(3-chloro-4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[2-(benzothiophen-3-yl)acetyl]-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carboxamide Formula: C21H19ClFN3O2S MolecularWeight: 431.910863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CSC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CSC3=CC=CC=C32)C(=O)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H19ClFN3O2S/c22-17-12-15(5-6-18(17)23)24-21(28)26-9-7-25(8-10-26)20(27)11-14-13-29-19-4-2-1-3-16(14)19/h1-6,12-13H,7-11H2,(H,24,28)