N-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-2-hexyl-decanethioamide

Systemtic Name: N-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-2-hexyl-decanethioamide Openeye Name: N-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-2-hexyl-decanethioamide CAS Name: N-[4,6-bis(methylthio)-5-pyrimidinyl]-2-hexyldecanethioamide IUPAC Name: N-[4,6-bis(methylsulfanyl)pyrimidin-5-yl]-2-hexyldecanethioamide Traditional Name: N-[4,6-bis(methylthio)pyrimidin-5-yl]-2-hexyl-thiocapramide Formula: C22H39N3S3 MolecularWeight: 441.76016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)C(=S)NC1=C(N=CN=C1SC)SC

Isomeric SMILES

CCCCCCCCC(CCCCCC)C(=S)NC1=C(N=CN=C1SC)SC

InChI

InChI=1S/C22H39N3S3/c1-5-7-9-11-12-14-16-18(15-13-10-8-6-2)20(26)25-19-21(27-3)23-17-24-22(19)28-4/h17-18H,5-16H2,1-4H3,(H,25,26)