S-(1,2,3-triazin-4-yl) 2-(dioctylcarbamoylamino)ethanethioate

Systemtic Name: S-(1,2,3-triazin-4-yl) 2-(dioctylcarbamoylamino)ethanethioate Openeye Name: S-(triazin-4-yl) 2-(dioctylcarbamoylamino)ethanethioate CAS Name: 2-[[(dioctylamino)-oxomethyl]amino]ethanethioic acid S-(4-triazinyl) ester IUPAC Name: S-(triazin-4-yl) 2-(dioctylcarbamoylamino)ethanethioate Traditional Name: 2-(dioctylcarbamoylamino)ethanethioic acid S-(triazin-4-yl) ester Formula: C22H39N5O2S MolecularWeight: 437.64236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN(CCCCCCCC)C(=O)NCC(=O)SC1=NN=NC=C1

Isomeric SMILES

CCCCCCCCN(CCCCCCCC)C(=O)NCC(=O)SC1=NN=NC=C1

InChI

InChI=1S/C22H39N5O2S/c1-3-5-7-9-11-13-17-27(18-14-12-10-8-6-4-2)22(29)23-19-21(28)30-20-15-16-24-26-25-20/h15-16H,3-14,17-19H2,1-2H3,(H,23,29)