ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(4-methylsulfanylphenyl)propanamide

Systemtic Name: ethanedioic acid; 2-(4-methylpiperazin-1-yl)-N-(4-methylsulfanylphenyl)propanamide Openeye Name: 2-(4-methylpiperazin-1-yl)-N-(4-methylsulfanylphenyl)propanamide; oxalic acid CAS Name: 2-(4-methyl-1-piperazinyl)-N-[4-(methylthio)phenyl]propanamide; oxalic acid IUPAC Name: 2-(4-methylpiperazin-1-yl)-N-(4-methylsulfanylphenyl)propanamide; oxalic acid Traditional Name: 2-(4-methylpiperazino)-N-[4-(methylthio)phenyl]propionamide; oxalic acid Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)SC)N2CCN(CC2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)SC)N2CCN(CC2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C15H23N3OS.C2H2O4/c1-12(18-10-8-17(2)9-11-18)15(19)16-13-4-6-14(20-3)7-5-13;3-1(4)2(5)6/h4-7,12H,8-11H2,1-3H3,(H,16,19);(H,3,4)(H,5,6)