N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-5-(3-nitrophenyl)furan-2-carboxamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-5-(3-nitrophenyl)furan-2-carboxamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-5-(3-nitrophenyl)furan-2-carboxamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-5-(3-nitrophenyl)-2-furancarboxamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-5-(3-nitrophenyl)furan-2-carboxamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-5-(3-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/c23-17-13-16(28(32)33)4-5-18(17)25-8-10-26(11-9-25)22(35)24-21(29)20-7-6-19(34-20)14-2-1-3-15(12-14)27(30)31/h1-7,12-13H,8-11H2,(H,24,29,35)