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

Systemtic Name: 3,4-dimethoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,4-dimethoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,4-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=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)OC

Isomeric SMILES

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

InChI

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