2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-N-(2-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-6-nitro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl]-N-(2-fluorophenyl)ethanamide Openeye Name: 2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide CAS Name: 2-[4-[(3-chloro-6-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinyl]-N-(2-fluorophenyl)acetamide IUPAC Name: 2-[4-(3-chloro-6-nitro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-fluorophenyl)acetamide Traditional Name: 2-[4-(3-chloro-6-nitro-benzothiophene-2-carbonyl)piperazino]-N-(2-fluorophenyl)acetamide Formula: C21H18ClFN4O4S MolecularWeight: 476.908423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)NC2=CC=CC=C2F)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1CC(=O)NC2=CC=CC=C2F)C(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClFN4O4S/c22-19-14-6-5-13(27(30)31)11-17(14)32-20(19)21(29)26-9-7-25(8-10-26)12-18(28)24-16-4-2-1-3-15(16)23/h1-6,11H,7-10,12H2,(H,24,28)