5-(3-chloranyl-4-methyl-phenyl)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide

Systemtic Name: 5-(3-chloranyl-4-methyl-phenyl)-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-furan-2-carboxamide Openeye Name: 5-(3-chloro-4-methyl-phenyl)-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]furan-2-carboxamide CAS Name: 5-(3-chloro-4-methylphenyl)-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-(3-chloro-4-methylphenyl)-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]furan-2-carboxamide Traditional Name: 5-(3-chloro-4-methyl-phenyl)-N-[4-(2-chloro-6-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=CC=C4Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=O)NC(=S)N3CCN(CC3)C4=C(C=CC=C4Cl)[N+](=O)[O-])Cl

InChI

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