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

Systemtic Name: [1-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-1-oxidanylidene-propan-2-yl] pyrrole-1-carbodithioate Openeye Name: [2-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-1-methyl-2-oxo-ethyl] pyrrole-1-carbodithioate CAS Name: 1-pyrrolecarbodithioic acid [1-[2-[(6-isocyanatohexylamino)-oxomethoxy]ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-1-oxopropan-2-yl] pyrrole-1-carbodithioate Traditional Name: pyrrole-1-carbodithioic acid [2-[2-(6-isocyanatohexylcarbamoyloxy)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C18H26N4O4S2 MolecularWeight: 426.55344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCOC(=O)NCCCCCCN=C=O)SC(=S)N1C=CC=C1

Isomeric SMILES

CC(C(=O)NCCOC(=O)NCCCCCCN=C=O)SC(=S)N1C=CC=C1

InChI

InChI=1S/C18H26N4O4S2/c1-15(28-18(27)22-11-6-7-12-22)16(24)20-10-13-26-17(25)21-9-5-3-2-4-8-19-14-23/h6-7,11-12,15H,2-5,8-10,13H2,1H3,(H,20,24)(H,21,25)