1-[2-(2-azanylethyl)-4-methylsulfanyl-phenyl]hexan-1-one

Systemtic Name: 1-[2-(2-azanylethyl)-4-methylsulfanyl-phenyl]hexan-1-one Openeye Name: 1-[2-(2-aminoethyl)-4-methylsulfanyl-phenyl]hexan-1-one CAS Name: 1-[2-(2-aminoethyl)-4-(methylthio)phenyl]-1-hexanone IUPAC Name: 1-[2-(2-aminoethyl)-4-methylsulfanylphenyl]hexan-1-one Traditional Name: 1-[2-(2-aminoethyl)-4-(methylthio)phenyl]hexan-1-one Formula: C15H23NOS MolecularWeight: 265.41422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C1=C(C=C(C=C1)SC)CCN

Isomeric SMILES

CCCCCC(=O)C1=C(C=C(C=C1)SC)CCN

InChI

InChI=1S/C15H23NOS/c1-3-4-5-6-15(17)14-8-7-13(18-2)11-12(14)9-10-16/h7-8,11H,3-6,9-10,16H2,1-2H3