methyl 4-(hexadecylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(hexadecylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(hexadecylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(hexadecylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(hexadecylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(cetylthiocarbamoylamino)-4-keto-butyric acid methyl ester Formula: C22H42N2O3S MolecularWeight: 414.64548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42N2O3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23-22(28)24-20(25)17-18-21(26)27-2/h3-19H2,1-2H3,(H2,23,24,25,28)