ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide; oxalic acid CAS Name: 2-(4-methyl-1-piperazinyl)-N-[2-(phenylthio)phenyl]acetamide; oxalic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-(2-phenylsulfanylphenyl)acetamide; oxalic acid Traditional Name: 2-(4-methylpiperazino)-N-[2-(phenylthio)phenyl]acetamide; oxalic acid Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

CN1CCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H23N3OS.C2H2O4/c1-21-11-13-22(14-12-21)15-19(23)20-17-9-5-6-10-18(17)24-16-7-3-2-4-8-16;3-1(4)2(5)6/h2-10H,11-15H2,1H3,(H,20,23);(H,3,4)(H,5,6)