3-phenylpropyl 4-(hexadecylcarbamothioylamino)-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-(hexadecylcarbamothioylamino)-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(hexadecylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(hexadecylamino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-(hexadecylcarbamothioylamino)-4-oxobutanoate Traditional Name: 4-(cetylthiocarbamoylamino)-4-keto-butyric acid 3-phenylpropyl ester Formula: C30H50N2O3S MolecularWeight: 518.7946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=S)NC(=O)CCC(=O)OCCCC1=CC=CC=C1

InChI

InChI=1S/C30H50N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-25-31-30(36)32-28(33)23-24-29(34)35-26-19-22-27-20-16-15-17-21-27/h15-17,20-21H,2-14,18-19,22-26H2,1H3,(H2,31,32,33,36)