3-[(3-methylsulfanylphenyl)amino]azepan-2-one

Systemtic Name: 3-[(3-methylsulfanylphenyl)amino]azepan-2-one Openeye Name: 3-(3-methylsulfanylanilino)azepan-2-one CAS Name: 3-[3-(methylthio)anilino]-2-azepanone IUPAC Name: 3-(3-methylsulfanylanilino)azepan-2-one Traditional Name: 3-[3-(methylthio)anilino]azepan-2-one Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC2CCCCNC2=O

Isomeric SMILES

CSC1=CC=CC(=C1)NC2CCCCNC2=O

InChI

InChI=1S/C13H18N2OS/c1-17-11-6-4-5-10(9-11)15-12-7-2-3-8-14-13(12)16/h4-6,9,12,15H,2-3,7-8H2,1H3,(H,14,16)