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

Systemtic Name: 2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]benzoic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)CSC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C19H20N2O3S/c22-18(14-25-17-9-5-4-8-16(17)19(23)24)21-12-10-20(11-13-21)15-6-2-1-3-7-15/h1-9H,10-14H2,(H,23,24)