3-(4-aminophenyl)sulfanylazepan-2-one

Systemtic Name: 3-(4-aminophenyl)sulfanylazepan-2-one Openeye Name: 3-(4-aminophenyl)sulfanylazepan-2-one CAS Name: 3-[(4-aminophenyl)thio]-2-azepanone IUPAC Name: 3-(4-aminophenyl)sulfanylazepan-2-one Traditional Name: 3-[(4-aminophenyl)thio]azepan-2-one Formula: C12H16N2OS MolecularWeight: 236.33324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=CC=C(C=C2)N

Isomeric SMILES

C1CCNC(=O)C(C1)SC2=CC=C(C=C2)N

InChI

InChI=1S/C12H16N2OS/c13-9-4-6-10(7-5-9)16-11-3-1-2-8-14-12(11)15/h4-7,11H,1-3,8,13H2,(H,14,15)