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

Systemtic Name: 2-[2-oxidanylidene-2-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethyl]thio]benzoic acid IUPAC Name: 2-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-keto-2-[4-(2-thenoyl)piperazino]ethyl]thio]benzoic acid Formula: C18H18N2O4S2 MolecularWeight: 390.47652

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H18N2O4S2/c21-16(12-26-14-5-2-1-4-13(14)18(23)24)19-7-9-20(10-8-19)17(22)15-6-3-11-25-15/h1-6,11H,7-10,12H2,(H,23,24)