3,5-bis(chloranyl)-2-methoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3,5-bis(chloranyl)-2-methoxy-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3,5-dichloro-2-methoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3,5-dichloro-2-methoxy-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-2-methoxy-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3,5-dichloro-2-methoxy-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]benzamide Formula: C23H25Cl2N5O5S MolecularWeight: 554.4461

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])N4CCOCC4)Cl)Cl

InChI

InChI=1S/C23H25Cl2N5O5S/c1-34-21-17(12-15(24)13-18(21)25)22(31)26-23(36)29-6-4-27(5-7-29)16-2-3-19(30(32)33)20(14-16)28-8-10-35-11-9-28/h2-3,12-14H,4-11H2,1H3,(H,26,31,36)