5-bromanyl-2-chloranyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 5-bromanyl-2-chloranyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 5-bromo-2-chloro-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C22H23BrClN5O4S MolecularWeight: 568.87112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=C(C=CC(=C4)Br)Cl

InChI

InChI=1S/C22H23BrClN5O4S/c23-15-1-3-18(24)17(13-15)21(30)25-22(34)28-7-5-26(6-8-28)16-2-4-19(29(31)32)20(14-16)27-9-11-33-12-10-27/h1-4,13-14H,5-12H2,(H,25,30,34)