[2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methanethiol

Systemtic Name: [2-(3-butylisoquinolin-1-yl)oxyethyl-methyl-amino]methanethiol Openeye Name: [2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methanethiol CAS Name: [2-[(3-butyl-1-isoquinolinyl)oxy]ethyl-methylamino]methanethiol IUPAC Name: [2-(3-butylisoquinolin-1-yl)oxyethyl-methylamino]methanethiol Traditional Name: [2-[(3-butyl-1-isoquinolyl)oxy]ethyl-methyl-amino]methanethiol Formula: C17H24N2OS MolecularWeight: 304.45026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CS

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=N1)OCCN(C)CS

InChI

InChI=1S/C17H24N2OS/c1-3-4-8-15-12-14-7-5-6-9-16(14)17(18-15)20-11-10-19(2)13-21/h5-7,9,12,21H,3-4,8,10-11,13H2,1-2H3