4-(4-methylpiperazin-1-yl)-4-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]butanoic acid

Systemtic Name: 4-(4-methylpiperazin-1-yl)-4-oxidanylidene-2-[(phenylmethylsulfanyl)methyl]butanoic acid Openeye Name: 2-(benzylsulfanylmethyl)-4-(4-methylpiperazin-1-yl)-4-oxo-butanoic acid CAS Name: 4-(4-methyl-1-piperazinyl)-4-oxo-2-[(phenylmethylthio)methyl]butanoic acid IUPAC Name: 2-(benzylsulfanylmethyl)-4-(4-methylpiperazin-1-yl)-4-oxobutanoic acid Traditional Name: 2-[(benzylthio)methyl]-4-keto-4-(4-methylpiperazino)butyric acid Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CC(CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C17H24N2O3S/c1-18-7-9-19(10-8-18)16(20)11-15(17(21)22)13-23-12-14-5-3-2-4-6-14/h2-6,15H,7-13H2,1H3,(H,21,22)