hexadecyl 4-oxidanylidene-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate

Systemtic Name: hexadecyl 4-oxidanylidene-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate Openeye Name: hexadecyl 4-oxo-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate CAS Name: 4-oxo-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoic acid hexadecyl ester IUPAC Name: hexadecyl 4-oxo-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butanoate Traditional Name: 4-keto-4-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]butyric acid cetyl ester Formula: C28H43N3O3S MolecularWeight: 501.72432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)NC1=NN=C(S1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)CCC(=O)NC1=NN=C(S1)C2=CC=CC=C2

InChI

InChI=1S/C28H43N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23-34-26(33)22-21-25(32)29-28-31-30-27(35-28)24-19-16-15-17-20-24/h15-17,19-20H,2-14,18,21-23H2,1H3,(H,29,31,32)