3-phenylpropyl 5-(hexadecylcarbamothioylamino)-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-(hexadecylcarbamothioylamino)-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-(hexadecylcarbamothioylamino)-5-oxo-pentanoate CAS Name: 5-[[(hexadecylamino)-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-(hexadecylcarbamothioylamino)-5-oxopentanoate Traditional Name: 5-(cetylthiocarbamoylamino)-5-keto-valeric acid 3-phenylpropyl ester Formula: C31H52N2O3S MolecularWeight: 532.82118

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-26-32-31(37)33-29(34)24-19-25-30(35)36-27-20-23-28-21-16-15-17-22-28/h15-17,21-22H,2-14,18-20,23-27H2,1H3,(H2,32,33,34,37)