3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[[[4-[[(2-carboxyethylthio)-sulfanylidenemethyl]amino]-1-piperazinyl]amino]-sulfanylidenemethyl]thio]propanoic acid IUPAC Name: 3-[[4-(2-carboxyethylsulfanylcarbothioylamino)piperazin-1-yl]carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[[4-[(2-carboxyethylthio)carbothioylamino]piperazino]thiocarbamoylthio]propionic acid Formula: C12H20N4O4S4 MolecularWeight: 412.5716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1NC(=S)SCCC(=O)O)NC(=S)SCCC(=O)O

Isomeric SMILES

C1CN(CCN1NC(=S)SCCC(=O)O)NC(=S)SCCC(=O)O

InChI

InChI=1S/C12H20N4O4S4/c17-9(18)1-7-23-11(21)13-15-3-5-16(6-4-15)14-12(22)24-8-2-10(19)20/h1-8H2,(H,13,21)(H,14,22)(H,17,18)(H,19,20)