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

Systemtic Name: 3-[(4-methylsulfanylphenyl)amino]azepan-2-one Openeye Name: 3-(4-methylsulfanylanilino)azepan-2-one CAS Name: 3-[4-(methylthio)anilino]-2-azepanone IUPAC Name: 3-(4-methylsulfanylanilino)azepan-2-one Traditional Name: 3-[4-(methylthio)anilino]azepan-2-one Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2OS/c1-17-11-7-5-10(6-8-11)15-12-4-2-3-9-14-13(12)16/h5-8,12,15H,2-4,9H2,1H3,(H,14,16)