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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]benzoic acid IUPAC Name: 2-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]benzoic acid Formula: C20H22N2O3S MolecularWeight: 370.46528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C20H22N2O3S/c23-19(15-26-18-9-5-4-8-17(18)20(24)25)22-12-10-21(11-13-22)14-16-6-2-1-3-7-16/h1-9H,10-15H2,(H,24,25)