3-(4-azanyl-2-methyl-phenyl)sulfanylazepan-2-one

Systemtic Name: 3-(4-azanyl-2-methyl-phenyl)sulfanylazepan-2-one Openeye Name: 3-(4-amino-2-methyl-phenyl)sulfanylazepan-2-one CAS Name: 3-[(4-amino-2-methylphenyl)thio]-2-azepanone IUPAC Name: 3-(4-amino-2-methylphenyl)sulfanylazepan-2-one Traditional Name: 3-[(4-amino-2-methyl-phenyl)thio]azepan-2-one Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)SC2CCCCNC2=O

Isomeric SMILES

CC1=C(C=CC(=C1)N)SC2CCCCNC2=O

InChI

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