4-[2-(dibenzothiophen-2-ylmethylsulfanyl)ethanoyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(dibenzothiophen-2-ylmethylsulfanyl)ethanoyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-(dibenzothiophen-2-ylmethylsulfanyl)acetyl]piperazine-1-carboxylic acid CAS Name: 4-[2-(2-dibenzothiophenylmethylthio)-1-oxoethyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(dibenzothiophen-2-ylmethylsulfanyl)acetyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-(dibenzothiophen-2-ylmethylthio)acetyl]piperazine-1-carboxylic acid Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSCC2=CC3=C(C=C2)SC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1CN(CCN1C(=O)CSCC2=CC3=C(C=C2)SC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C20H20N2O3S2/c23-19(21-7-9-22(10-8-21)20(24)25)13-26-12-14-5-6-18-16(11-14)15-3-1-2-4-17(15)27-18/h1-6,11H,7-10,12-13H2,(H,24,25)