[1-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-1-oxidanylidene-propan-2-yl] ethanedithioate

Systemtic Name: [1-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-1-oxidanylidene-propan-2-yl] ethanedithioate Openeye Name: [2-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-1-methyl-2-oxo-ethyl] ethanedithioate CAS Name: ethanedithioic acid [1-[2-[(6-isocyanatohexylamino)-oxomethoxy]ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-1-oxopropan-2-yl] ethanedithioate Traditional Name: ethanedithioic acid [2-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C15H25N3O4S2 MolecularWeight: 375.5067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC(=O)NCCCCCCN=C=O)SC(=S)C

Isomeric SMILES

CC(C(=O)NCCOC(=O)NCCCCCCN=C=O)SC(=S)C

InChI

InChI=1S/C15H25N3O4S2/c1-12(24-13(2)23)14(20)17-9-10-22-15(21)18-8-6-4-3-5-7-16-11-19/h12H,3-10H2,1-2H3,(H,17,20)(H,18,21)