1-(azepan-1-yl)-2-[(3-methylsulfanylphenyl)amino]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-[(3-methylsulfanylphenyl)amino]propan-1-one Openeye Name: 1-(azepan-1-yl)-2-(3-methylsulfanylanilino)propan-1-one CAS Name: 1-(1-azepanyl)-2-[3-(methylthio)anilino]-1-propanone IUPAC Name: 1-(azepan-1-yl)-2-(3-methylsulfanylanilino)propan-1-one Traditional Name: 1-(azepan-1-yl)-2-[3-(methylthio)anilino]propan-1-one Formula: C16H24N2OS MolecularWeight: 292.43956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)NC2=CC(=CC=C2)SC

Isomeric SMILES

CC(C(=O)N1CCCCCC1)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C16H24N2OS/c1-13(16(19)18-10-5-3-4-6-11-18)17-14-8-7-9-15(12-14)20-2/h7-9,12-13,17H,3-6,10-11H2,1-2H3