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

Systemtic Name: 4-morpholin-4-yl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-nitro-benzamide Openeye Name: 4-morpholino-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide CAS Name: 4-(4-morpholinyl)-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-morpholin-4-yl-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-3-nitrobenzamide Traditional Name: 4-morpholino-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-3-nitro-benzamide Formula: C26H31N7O7S MolecularWeight: 585.63204

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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=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H31N7O7S/c34-25(19-1-3-21(24(17-19)33(37)38)29-9-13-39-14-10-29)27-26(41)31-7-5-28(6-8-31)20-2-4-22(32(35)36)23(18-20)30-11-15-40-16-12-30/h1-4,17-18H,5-16H2,(H,27,34,41)