4-chloranyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 4-chloranyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-chloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 4-chloro-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-chloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C18H16Cl2N4O3S MolecularWeight: 439.31564

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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(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O3S/c19-13-3-1-12(2-4-13)17(25)21-18(28)23-9-7-22(8-10-23)16-6-5-14(24(26)27)11-15(16)20/h1-6,11H,7-10H2,(H,21,25,28)