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

Systemtic Name: 4-morpholin-4-yl-3-nitro-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 4-morpholino-3-nitro-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]benzamide CAS Name: 4-(4-morpholinyl)-3-nitro-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 4-morpholin-4-yl-3-nitro-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 4-morpholino-3-nitro-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]benzamide Formula: C27H33N7O6S MolecularWeight: 583.65922

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=CC(=C2)N3CCN(CC3)C(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C27H33N7O6S/c35-26(20-4-6-22(25(18-20)34(38)39)31-14-16-40-17-15-31)28-27(41)32-12-10-29(11-13-32)21-5-7-23(33(36)37)24(19-21)30-8-2-1-3-9-30/h4-7,18-19H,1-3,8-17H2,(H,28,35,41)