(2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: (2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; (2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylene]thiomorpholin-3-one CAS Name: (2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methyl-1-piperazinyl)phenyl]methylidene]-3-thiomorpholinone; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: (2Z)-4-(3,4-dichlorophenyl)-2-[[2-(4-methylpiperazin-1-yl)phenyl]methylidene]thiomorpholin-3-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; (2Z)-4-(3,4-dichlorophenyl)-2-[2-(4-methylpiperazino)benzylidene]thiomorpholin-3-one Formula: C28H31Cl2N3O8S MolecularWeight: 640.53204

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2C=C3C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2/C=C\3/C(=O)N(CCS3)C4=CC(=C(C=C4)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C22H23Cl2N3OS.C6H8O7/c1-25-8-10-26(11-9-25)20-5-3-2-4-16(20)14-21-22(28)27(12-13-29-21)17-6-7-18(23)19(24)15-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,14-15H,8-13H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b21-14-;