2-azanyl-1-[4-(2-methylpropylsulfanyl)phenyl]propan-1-one

Systemtic Name: 2-azanyl-1-[4-(2-methylpropylsulfanyl)phenyl]propan-1-one Openeye Name: 2-amino-1-(4-isobutylsulfanylphenyl)propan-1-one CAS Name: 2-amino-1-[4-(2-methylpropylthio)phenyl]-1-propanone IUPAC Name: 2-amino-1-[4-(2-methylpropylsulfanyl)phenyl]propan-1-one Traditional Name: 2-amino-1-[4-(isobutylthio)phenyl]propan-1-one Formula: C13H19NOS MolecularWeight: 237.36106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=CC=C(C=C1)C(=O)C(C)N

Isomeric SMILES

CC(C)CSC1=CC=C(C=C1)C(=O)C(C)N

InChI

InChI=1S/C13H19NOS/c1-9(2)8-16-12-6-4-11(5-7-12)13(15)10(3)14/h4-7,9-10H,8,14H2,1-3H3