3-azanyl-1-(thiophen-3-ylmethylsulfanyl)heptan-2-one

Systemtic Name: 3-azanyl-1-(thiophen-3-ylmethylsulfanyl)heptan-2-one Openeye Name: 3-amino-1-(3-thienylmethylsulfanyl)heptan-2-one CAS Name: 3-amino-1-(3-thiophenylmethylthio)-2-heptanone IUPAC Name: 3-amino-1-(thiophen-3-ylmethylsulfanyl)heptan-2-one Traditional Name: 3-amino-1-(3-thenylthio)heptan-2-one Formula: C12H19NOS2 MolecularWeight: 257.41536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CSC=C1)N

Isomeric SMILES

CCCCC(C(=O)CSCC1=CSC=C1)N

InChI

InChI=1S/C12H19NOS2/c1-2-3-4-11(13)12(14)9-16-8-10-5-6-15-7-10/h5-7,11H,2-4,8-9,13H2,1H3