3-chloranyl-N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[4-[4-(2-fluorophenyl)carbonylpiperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[4-[4-[(2-fluorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[4-[4-(2-fluorobenzoyl)piperazino]phenyl]-7-nitro-benzothiophene-2-carboxamide Formula: C26H20ClFN4O4S MolecularWeight: 538.977803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=C(C4=C(S3)C(=CC=C4)[N+](=O)[O-])Cl)C(=O)C5=CC=CC=C5F

InChI

InChI=1S/C26H20ClFN4O4S/c27-22-19-5-3-7-21(32(35)36)23(19)37-24(22)25(33)29-16-8-10-17(11-9-16)30-12-14-31(15-13-30)26(34)18-4-1-2-6-20(18)28/h1-11H,12-15H2,(H,29,33)