3,5-dimethoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,5-dimethoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,5-dimethoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,5-dimethoxy-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dimethoxy-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,5-dimethoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C24H29N5O6S MolecularWeight: 515.58196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29N5O6S/c1-33-19-13-17(14-20(16-19)34-2)23(30)25-24(36)28-7-5-26(6-8-28)18-3-4-21(29(31)32)22(15-18)27-9-11-35-12-10-27/h3-4,13-16H,5-12H2,1-2H3,(H,25,30,36)