3,5-bis(bromanyl)-2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C20H20Br2N4O5S MolecularWeight: 588.2696

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=S)NC(=O)C3=CC(=CC(=C3OC)Br)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H20Br2N4O5S/c1-30-13-3-4-16(17(11-13)26(28)29)24-5-7-25(8-6-24)20(32)23-19(27)14-9-12(21)10-15(22)18(14)31-2/h3-4,9-11H,5-8H2,1-2H3,(H,23,27,32)