4-(2-methylsulfanyltetradecylamino)benzoic acid

Systemtic Name: 4-(2-methylsulfanyltetradecylamino)benzoic acid Openeye Name: 4-(2-methylsulfanyltetradecylamino)benzoic acid CAS Name: 4-[2-(methylthio)tetradecylamino]benzoic acid IUPAC Name: 4-(2-methylsulfanyltetradecylamino)benzoic acid Traditional Name: 4-[2-(methylthio)tetradecylamino]benzoic acid Formula: C22H37NO2S MolecularWeight: 379.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CNC1=CC=C(C=C1)C(=O)O)SC

Isomeric SMILES

CCCCCCCCCCCCC(CNC1=CC=C(C=C1)C(=O)O)SC

InChI

InChI=1S/C22H37NO2S/c1-3-4-5-6-7-8-9-10-11-12-13-21(26-2)18-23-20-16-14-19(15-17-20)22(24)25/h14-17,21,23H,3-13,18H2,1-2H3,(H,24,25)