ethanedioic acid; 3-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-propylpiperazin-1-yl)butan-2-yl]benzamide

Systemtic Name: ethanedioic acid; 3-methyl-N-[4-methylsulfanyl-1-oxidanylidene-1-(4-propylpiperazin-1-yl)butan-2-yl]benzamide Openeye Name: 3-methyl-N-[3-methylsulfanyl-1-(4-propylpiperazine-1-carbonyl)propyl]benzamide; oxalic acid CAS Name: 3-methyl-N-[4-(methylthio)-1-oxo-1-(4-propyl-1-piperazinyl)butan-2-yl]benzamide; oxalic acid IUPAC Name: 3-methyl-N-[4-methylsulfanyl-1-oxo-1-(4-propylpiperazin-1-yl)butan-2-yl]benzamide; oxalic acid Traditional Name: 3-methyl-N-[3-(methylthio)-1-(4-propylpiperazine-1-carbonyl)propyl]benzamide; oxalic acid Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCN1CCN(CC1)C(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H31N3O2S.C2H2O4/c1-4-9-22-10-12-23(13-11-22)20(25)18(8-14-26-3)21-19(24)17-7-5-6-16(2)15-17;3-1(4)2(5)6/h5-7,15,18H,4,8-14H2,1-3H3,(H,21,24);(H,3,4)(H,5,6)