ethyl 4-(hexadecylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(hexadecylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: ethyl 4-(hexadecylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(hexadecylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(hexadecylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(cetylthiocarbamoylamino)-4-keto-butyric acid ethyl ester Formula: C23H44N2O3S MolecularWeight: 428.67206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C23H44N2O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(29)25-21(26)18-19-22(27)28-4-2/h3-20H2,1-2H3,(H2,24,25,26,29)