S-(9-oxidanyl-16-thiocyanato-hexadecyl) carbamothioate

Systemtic Name: S-(9-oxidanyl-16-thiocyanato-hexadecyl) carbamothioate Openeye Name: S-(9-hydroxy-16-thiocyanato-hexadecyl) carbamothioate CAS Name: carbamothioic acid S-(9-hydroxy-16-thiocyanatohexadecyl) ester IUPAC Name: S-(9-hydroxy-16-thiocyanatohexadecyl) carbamothioate Traditional Name: thiocarbamic acid S-(9-hydroxy-16-thiocyanato-hexadecyl) ester Formula: C18H34N2O2S2 MolecularWeight: 374.60476

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCSC(=O)N)CCCC(CCCCCCCSC#N)O

Isomeric SMILES

C(CCCCSC(=O)N)CCCC(CCCCCCCSC#N)O

InChI

InChI=1S/C18H34N2O2S2/c19-16-23-14-10-6-3-5-9-13-17(21)12-8-4-1-2-7-11-15-24-18(20)22/h17,21H,1-15H2,(H2,20,22)