methyl 4-(octadecylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(octadecylcarbamothioylamino)butanoate Openeye Name: methyl 4-(octadecylcarbamothioylamino)butanoate CAS Name: 4-[[(octadecylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(octadecylcarbamothioylamino)butanoate Traditional Name: 4-(stearylthiocarbamoylamino)butyric acid methyl ester Formula: C24H48N2O2S MolecularWeight: 428.71512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=S)NCCCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C24H48N2O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-25-24(29)26-22-19-20-23(27)28-2/h3-22H2,1-2H3,(H2,25,26,29)