2-[methyl(2-methylsulfanylethyl)amino]ethyl 4-(butylamino)benzoate hydrochloride

Systemtic Name: 2-[methyl(2-methylsulfanylethyl)amino]ethyl 4-(butylamino)benzoate hydrochloride Openeye Name: 2-[methyl(2-methylsulfanylethyl)amino]ethyl 4-(butylamino)benzoate hydrochloride CAS Name: 4-(butylamino)benzoic acid 2-[methyl-[2-(methylthio)ethyl]amino]ethyl ester hydrochloride IUPAC Name: 2-[methyl(2-methylsulfanylethyl)amino]ethyl 4-(butylamino)benzoate hydrochloride Traditional Name: 4-(butylamino)benzoic acid 2-[methyl-[2-(methylthio)ethyl]amino]ethyl ester hydrochloride Formula: C17H29ClN2O2S MolecularWeight: 360.94236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)CCSC.Cl

Isomeric SMILES

CCCCNC1=CC=C(C=C1)C(=O)OCCN(C)CCSC.Cl

InChI

InChI=1S/C17H28N2O2S.ClH/c1-4-5-10-18-16-8-6-15(7-9-16)17(20)21-13-11-19(2)12-14-22-3;/h6-9,18H,4-5,10-14H2,1-3H3;1H