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

Systemtic Name: 3-bromanyl-4-methoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-bromo-4-methoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C23H26BrN5O5S MolecularWeight: 564.45204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)Br

InChI

InChI=1S/C23H26BrN5O5S/c1-33-21-5-2-16(14-18(21)24)22(30)25-23(35)28-8-6-26(7-9-28)17-3-4-19(29(31)32)20(15-17)27-10-12-34-13-11-27/h2-5,14-15H,6-13H2,1H3,(H,25,30,35)