ethyl 4-[11-(phenylmethylsulfanyl)undecylamino]benzoate

Systemtic Name: ethyl 4-[11-(phenylmethylsulfanyl)undecylamino]benzoate Openeye Name: ethyl 4-(11-benzylsulfanylundecylamino)benzoate CAS Name: 4-[11-(phenylmethylthio)undecylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(11-benzylsulfanylundecylamino)benzoate Traditional Name: 4-[11-(benzylthio)undecylamino]benzoic acid ethyl ester Formula: C27H39NO2S MolecularWeight: 441.66906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCSCC2=CC=CC=C2

InChI

InChI=1S/C27H39NO2S/c1-2-30-27(29)25-17-19-26(20-18-25)28-21-13-8-6-4-3-5-7-9-14-22-31-23-24-15-11-10-12-16-24/h10-12,15-20,28H,2-9,13-14,21-23H2,1H3