N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]-4-morpholino-3-nitro-benzamide Formula: C23H26N6O7S MolecularWeight: 530.55354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N6O7S/c1-35-17-3-5-19(21(15-17)29(33)34)25-6-8-27(9-7-25)23(37)24-22(30)16-2-4-18(20(14-16)28(31)32)26-10-12-36-13-11-26/h2-5,14-15H,6-13H2,1H3,(H,24,30,37)