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

Systemtic Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 4-[[2-keto-2-(4-methylpiperazino)ethyl]thio]benzoic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=CC=C(C=C2)C(=O)O

InChI

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