N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-5-(2-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-5-(2-nitrophenyl)furan-2-carboxamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-5-(2-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-5-(2-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-5-(2-nitrophenyl)furan-2-carboxamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-5-(2-nitrophenyl)-2-furamide Formula: C22H18ClN5O6S MolecularWeight: 515.92622

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H18ClN5O6S/c23-16-13-14(27(30)31)5-6-18(16)25-9-11-26(12-10-25)22(35)24-21(29)20-8-7-19(34-20)15-3-1-2-4-17(15)28(32)33/h1-8,13H,9-12H2,(H,24,29,35)