3-[(5-bromanyl-2-butoxy-phenyl)methylsulfanyl]propan-1-amine

Systemtic Name: 3-[(5-bromanyl-2-butoxy-phenyl)methylsulfanyl]propan-1-amine Openeye Name: 3-[(5-bromo-2-butoxy-phenyl)methylsulfanyl]propan-1-amine CAS Name: 3-[(5-bromo-2-butoxyphenyl)methylthio]-1-propanamine IUPAC Name: 3-[(5-bromo-2-butoxyphenyl)methylsulfanyl]propan-1-amine Traditional Name: 3-[(5-bromo-2-butoxy-benzyl)thio]propylamine Formula: C14H22BrNOS MolecularWeight: 332.29958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)CSCCCN

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)CSCCCN

InChI

InChI=1S/C14H22BrNOS/c1-2-3-8-17-14-6-5-13(15)10-12(14)11-18-9-4-7-16/h5-6,10H,2-4,7-9,11,16H2,1H3