2-(dibenzothiophen-2-ylmethylsulfanyl)-2-ethanoyl-piperazine-1-carboxylic acid

Systemtic Name: 2-(dibenzothiophen-2-ylmethylsulfanyl)-2-ethanoyl-piperazine-1-carboxylic acid Openeye Name: 2-acetyl-2-(dibenzothiophen-2-ylmethylsulfanyl)piperazine-1-carboxylic acid CAS Name: 2-acetyl-2-(2-dibenzothiophenylmethylthio)-1-piperazinecarboxylic acid IUPAC Name: 2-acetyl-2-(dibenzothiophen-2-ylmethylsulfanyl)piperazine-1-carboxylic acid Traditional Name: 2-acetyl-2-(dibenzothiophen-2-ylmethylthio)piperazine-1-carboxylic acid Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CNCCN1C(=O)O)SCC2=CC3=C(C=C2)SC4=CC=CC=C43

Isomeric SMILES

CC(=O)C1(CNCCN1C(=O)O)SCC2=CC3=C(C=C2)SC4=CC=CC=C43

InChI

InChI=1S/C20H20N2O3S2/c1-13(23)20(12-21-8-9-22(20)19(24)25)26-11-14-6-7-18-16(10-14)15-4-2-3-5-17(15)27-18/h2-7,10,21H,8-9,11-12H2,1H3,(H,24,25)