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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 5-bromo-2-chloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C18H15BrCl2N4O3S MolecularWeight: 518.2117

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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=C(C=CC(=C3)Br)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrCl2N4O3S/c19-11-1-3-14(20)13(9-11)17(26)22-18(29)24-7-5-23(6-8-24)16-4-2-12(25(27)28)10-15(16)21/h1-4,9-10H,5-8H2,(H,22,26,29)