[1-butylsulfanyl-3-(dibutylamino)propan-2-yl] benzoate

Systemtic Name: [1-butylsulfanyl-3-(dibutylamino)propan-2-yl] benzoate Openeye Name: [1-(butylsulfanylmethyl)-2-(dibutylamino)ethyl] benzoate CAS Name: benzoic acid [1-(butylthio)-3-(dibutylamino)propan-2-yl] ester IUPAC Name: [1-butylsulfanyl-3-(dibutylamino)propan-2-yl] benzoate Traditional Name: benzoic acid [1-[(butylthio)methyl]-2-(dibutylamino)ethyl] ester Formula: C22H37NO2S MolecularWeight: 379.59968

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(CSCCCC)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCN(CCCC)CC(CSCCCC)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C22H37NO2S/c1-4-7-15-23(16-8-5-2)18-21(19-26-17-9-6-3)25-22(24)20-13-11-10-12-14-20/h10-14,21H,4-9,15-19H2,1-3H3