2-sulfanyl-1-[7-(2-sulfanylethanoyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone hydrochloride

Systemtic Name: 2-sulfanyl-1-[7-(2-sulfanylethanoyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone hydrochloride Openeye Name: 2-sulfanyl-1-[7-(2-sulfanylacetyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone hydrochloride CAS Name: 2-mercapto-1-[7-(2-mercapto-1-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone hydrochloride IUPAC Name: 2-sulfanyl-1-[7-(2-sulfanylacetyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone hydrochloride Traditional Name: 2-mercapto-1-[7-(2-mercaptoacetyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanone hydrochloride Formula: C12H25ClN4O2S2 MolecularWeight: 356.9355

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNCCN(CCN1)C(=O)CS)C(=O)CS.Cl

Isomeric SMILES

C1CN(CCNCCN(CCN1)C(=O)CS)C(=O)CS.Cl

InChI

InChI=1S/C12H24N4O2S2.ClH/c17-11(9-19)15-5-1-13-2-6-16(12(18)10-20)8-4-14-3-7-15;/h13-14,19-20H,1-10H2;1H