[2-(aminomethyl)-3-(4-ethoxybutyl)-4-phenethylsulfanyl-phenyl]methanol

Systemtic Name: [2-(aminomethyl)-3-(4-ethoxybutyl)-4-phenethylsulfanyl-phenyl]methanol Openeye Name: [2-(aminomethyl)-3-(4-ethoxybutyl)-4-phenethylsulfanyl-phenyl]methanol CAS Name: [2-(aminomethyl)-3-(4-ethoxybutyl)-4-(phenethylthio)phenyl]methanol IUPAC Name: [2-(aminomethyl)-3-(4-ethoxybutyl)-4-phenethylsulfanylphenyl]methanol Traditional Name: [2-(aminomethyl)-3-(4-ethoxybutyl)-4-(phenethylthio)phenyl]methanol Formula: C22H31NO2S MolecularWeight: 373.55204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCCCC1=C(C=CC(=C1CN)CO)SCCC2=CC=CC=C2

Isomeric SMILES

CCOCCCCC1=C(C=CC(=C1CN)CO)SCCC2=CC=CC=C2

InChI

InChI=1S/C22H31NO2S/c1-2-25-14-7-6-10-20-21(16-23)19(17-24)11-12-22(20)26-15-13-18-8-4-3-5-9-18/h3-5,8-9,11-12,24H,2,6-7,10,13-17,23H2,1H3