2,5-bis[[1-isocyanato-3-(isocyanatomethylsulfanyl)propan-2-yl]sulfanylmethyl]-1,4-dithiane

Systemtic Name: 2,5-bis[[1-isocyanato-3-(isocyanatomethylsulfanyl)propan-2-yl]sulfanylmethyl]-1,4-dithiane Openeye Name: 2,5-bis[[1-(isocyanatomethyl)-2-(isocyanatomethylsulfanyl)ethyl]sulfanylmethyl]-1,4-dithiane CAS Name: 2,5-bis[[[1-isocyanato-3-(isocyanatomethylthio)propan-2-yl]thio]methyl]-1,4-dithiane IUPAC Name: 2,5-bis[[1-isocyanato-3-(isocyanatomethylsulfanyl)propan-2-yl]sulfanylmethyl]-1,4-dithiane Traditional Name: 2,5-bis[[[1-(isocyanatomethyl)-2-(isocyanatomethylthio)ethyl]thio]methyl]-1,4-dithiane Formula: C18H24N4O4S6 MolecularWeight: 552.79756

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SCC(S1)CSC(CN=C=O)CSCN=C=O)CSC(CN=C=O)CSCN=C=O

Isomeric SMILES

C1C(SCC(S1)CSC(CN=C=O)CSCN=C=O)CSC(CN=C=O)CSCN=C=O

InChI

InChI=1S/C18H24N4O4S6/c23-9-19-1-15(3-27-13-21-11-25)29-5-17-7-32-18(8-31-17)6-30-16(2-20-10-24)4-28-14-22-12-26/h15-18H,1-8,13-14H2