N-[2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl]butanamide

Systemtic Name: N-[2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl]butanamide Openeye Name: N-[2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl]butanamide CAS Name: N-[2-(1-cyclohexa-2,4-dienylmethylthio)ethyl]butanamide IUPAC Name: N-[2-(cyclohexa-2,4-dien-1-ylmethylsulfanyl)ethyl]butanamide Traditional Name: N-[2-(cyclohexa-2,4-dien-1-ylmethylthio)ethyl]butyramide Formula: C13H21NOS MolecularWeight: 239.37694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCCSCC1CC=CC=C1

Isomeric SMILES

CCCC(=O)NCCSCC1CC=CC=C1

InChI

InChI=1S/C13H21NOS/c1-2-6-13(15)14-9-10-16-11-12-7-4-3-5-8-12/h3-5,7,12H,2,6,8-11H2,1H3,(H,14,15)