ethanedioic acid; 2-[methyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide

Systemtic Name: ethanedioic acid; 2-[methyl-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]amino]-N-(2-methylsulfanylphenyl)propanamide Openeye Name: 2-[[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-methyl-amino]-N-(2-methylsulfanylphenyl)propanamide; oxalic acid CAS Name: 2-[methyl-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-N-[2-(methylthio)phenyl]propanamide; oxalic acid IUPAC Name: 2-[[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-methylamino]-N-(2-methylsulfanylphenyl)propanamide; oxalic acid Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]-methyl-amino]-N-[2-(methylthio)phenyl]propionamide; oxalic acid Formula: C28H36N4O10S MolecularWeight: 620.67124

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1SC)N(C)CC(=O)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1SC)N(C)CC(=O)N2CCN(CC2)CC3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H32N4O2S.2C2H2O4/c1-19(24(30)25-21-11-7-8-12-22(21)31-3)26(2)18-23(29)28-15-13-27(14-16-28)17-20-9-5-4-6-10-20;2*3-1(4)2(5)6/h4-12,19H,13-18H2,1-3H3,(H,25,30);2*(H,3,4)(H,5,6)