3-[(4-methylsulfanylphenyl)methylamino]azepan-2-one

Systemtic Name: 3-[(4-methylsulfanylphenyl)methylamino]azepan-2-one Openeye Name: 3-[(4-methylsulfanylphenyl)methylamino]azepan-2-one CAS Name: 3-[[4-(methylthio)phenyl]methylamino]-2-azepanone IUPAC Name: 3-[(4-methylsulfanylphenyl)methylamino]azepan-2-one Traditional Name: 3-[[4-(methylthio)benzyl]amino]azepan-2-one Formula: C14H20N2OS MolecularWeight: 264.3864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC2CCCCNC2=O

Isomeric SMILES

CSC1=CC=C(C=C1)CNC2CCCCNC2=O

InChI

InChI=1S/C14H20N2OS/c1-18-12-7-5-11(6-8-12)10-16-13-4-2-3-9-15-14(13)17/h5-8,13,16H,2-4,9-10H2,1H3,(H,15,17)