2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]benzoate Formula: C14H17N2O3S- MolecularWeight: 293.36138

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C14H18N2O3S/c1-15-6-8-16(9-7-15)13(17)10-20-12-5-3-2-4-11(12)14(18)19/h2-5H,6-10H2,1H3,(H,18,19)/p-1