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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-benzoylpiperazin-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(4-benzoyl-1-piperazinyl)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(4-benzoylpiperazino)-2-keto-ethyl]thio]benzoic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c23-18(14-27-17-9-5-4-8-16(17)20(25)26)21-10-12-22(13-11-21)19(24)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,25,26)