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

Systemtic Name: [1-(dibutylamino)-3-propylsulfanyl-propan-2-yl] benzoate hydrochloride Openeye Name: [1-[(dibutylamino)methyl]-2-propylsulfanyl-ethyl] benzoate hydrochloride CAS Name: benzoic acid [1-(dibutylamino)-3-(propylthio)propan-2-yl] ester hydrochloride IUPAC Name: [1-(dibutylamino)-3-propylsulfanylpropan-2-yl] benzoate hydrochloride Traditional Name: benzoic acid [1-[(dibutylamino)methyl]-2-(propylthio)ethyl] ester hydrochloride Formula: C21H36ClNO2S MolecularWeight: 402.03404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CC(CSCCC)OC(=O)C1=CC=CC=C1.Cl

Isomeric SMILES

CCCCN(CCCC)CC(CSCCC)OC(=O)C1=CC=CC=C1.Cl

InChI

InChI=1S/C21H35NO2S.ClH/c1-4-7-14-22(15-8-5-2)17-20(18-25-16-6-3)24-21(23)19-12-10-9-11-13-19;/h9-13,20H,4-8,14-18H2,1-3H3;1H