2,6-dibutyl-3-(cyclohexylsulfanylamino)benzoic acid

Systemtic Name: 2,6-dibutyl-3-(cyclohexylsulfanylamino)benzoic acid Openeye Name: 2,6-dibutyl-3-(cyclohexylsulfanylamino)benzoic acid CAS Name: 2,6-dibutyl-3-[(cyclohexylthio)amino]benzoic acid IUPAC Name: 2,6-dibutyl-3-(cyclohexylsulfanylamino)benzoic acid Traditional Name: 2,6-dibutyl-3-[(cyclohexylthio)amino]benzoic acid Formula: C21H33NO2S MolecularWeight: 363.55722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C=C1)NSC2CCCCC2)CCCC)C(=O)O

Isomeric SMILES

CCCCC1=C(C(=C(C=C1)NSC2CCCCC2)CCCC)C(=O)O

InChI

InChI=1S/C21H33NO2S/c1-3-5-10-16-14-15-19(22-25-17-11-8-7-9-12-17)18(13-6-4-2)20(16)21(23)24/h14-15,17,22H,3-13H2,1-2H3,(H,23,24)