(4-morpholin-4-ylcarbothioylphenyl) hexadecanoate

Systemtic Name: (4-morpholin-4-ylcarbothioylphenyl) hexadecanoate Openeye Name: [4-(morpholine-4-carbothioyl)phenyl] hexadecanoate CAS Name: hexadecanoic acid [4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-(morpholine-4-carbothioyl)phenyl] hexadecanoate Traditional Name: palmitic acid [4-(morpholine-4-carbothioyl)phenyl] ester Formula: C27H43NO3S MolecularWeight: 461.70022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=S)N2CCOCC2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=S)N2CCOCC2

InChI

InChI=1S/C27H43NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-26(29)31-25-18-16-24(17-19-25)27(32)28-20-22-30-23-21-28/h16-19H,2-15,20-23H2,1H3