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

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-furamide Formula: C23H20Cl2N4O4S MolecularWeight: 519.4003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C23H20Cl2N4O4S/c1-14-2-3-15(12-17(14)24)20-6-7-21(33-20)22(30)26-23(34)28-10-8-27(9-11-28)19-5-4-16(29(31)32)13-18(19)25/h2-7,12-13H,8-11H2,1H3,(H,26,30,34)