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

Systemtic Name: 3-chloranyl-N-[3-chloranyl-4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chloro-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)-3-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)-3-chlorophenyl]-3-chloro-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(4-benzoylpiperazino)-3-chloro-phenyl]-3-chloro-7-nitro-benzothiophene-2-carboxamide Formula: C26H20Cl2N4O4S MolecularWeight: 555.4324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H20Cl2N4O4S/c27-19-15-17(29-25(33)24-22(28)18-7-4-8-21(32(35)36)23(18)37-24)9-10-20(19)30-11-13-31(14-12-30)26(34)16-5-2-1-3-6-16/h1-10,15H,11-14H2,(H,29,33)