N-[2-[2-(2-azanylethylcarbamoylamino)sulfanylethylcarbamoylamino]sulfanylethyl]-N',N'-di(tetradecyl)butanediamide

Systemtic Name: N-[2-[2-(2-azanylethylcarbamoylamino)sulfanylethylcarbamoylamino]sulfanylethyl]-N',N'-di(tetradecyl)butanediamide Openeye Name: N-[2-[2-(2-aminoethylcarbamoylamino)sulfanylethylcarbamoylamino]sulfanylethyl]-N',N'-di(tetradecyl)butanediamide CAS Name: N-[2-[[[[2-[[[(2-aminoethylamino)-oxomethyl]amino]thio]ethylamino]-oxomethyl]amino]thio]ethyl]-N',N'-di(tetradecyl)butanediamide IUPAC Name: N-[2-[2-(2-aminoethylcarbamoylamino)sulfanylethylcarbamoylamino]sulfanylethyl]-N',N'-di(tetradecyl)butanediamide Traditional Name: N-[2-[[2-[(2-aminoethylcarbamoylamino)thio]ethylcarbamoylamino]thio]ethyl]-N',N'-dimyristyl-succinamide Formula: C40H81N7O4S2 MolecularWeight: 788.24564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCC(=O)NCCSNC(=O)NCCSNC(=O)NCCN

Isomeric SMILES

CCCCCCCCCCCCCCN(CCCCCCCCCCCCCC)C(=O)CCC(=O)NCCSNC(=O)NCCSNC(=O)NCCN

InChI

InChI=1S/C40H81N7O4S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-33-47(34-26-24-22-20-18-16-14-12-10-8-6-4-2)38(49)28-27-37(48)42-31-35-52-46-40(51)44-32-36-53-45-39(50)43-30-29-41/h3-36,41H2,1-2H3,(H,42,48)(H2,43,45,50)(H2,44,46,51)