2-(2-azanyl-4-methyl-phenyl)sulfanyl-1-(azepan-1-yl)ethanone

Systemtic Name: 2-(2-azanyl-4-methyl-phenyl)sulfanyl-1-(azepan-1-yl)ethanone Openeye Name: 2-(2-amino-4-methyl-phenyl)sulfanyl-1-(azepan-1-yl)ethanone CAS Name: 2-[(2-amino-4-methylphenyl)thio]-1-(1-azepanyl)ethanone IUPAC Name: 2-(2-amino-4-methylphenyl)sulfanyl-1-(azepan-1-yl)ethanone Traditional Name: 2-[(2-amino-4-methyl-phenyl)thio]-1-(azepan-1-yl)ethanone Formula: C15H22N2OS MolecularWeight: 278.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)N2CCCCCC2)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)N2CCCCCC2)N

InChI

InChI=1S/C15H22N2OS/c1-12-6-7-14(13(16)10-12)19-11-15(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9,11,16H2,1H3