2-(1,4-diazepan-1-yl)-N-(2-methylsulfanylphenyl)ethanamide

Systemtic Name: 2-(1,4-diazepan-1-yl)-N-(2-methylsulfanylphenyl)ethanamide Openeye Name: 2-(1,4-diazepan-1-yl)-N-(2-methylsulfanylphenyl)acetamide CAS Name: 2-(1,4-diazepan-1-yl)-N-[2-(methylthio)phenyl]acetamide IUPAC Name: 2-(1,4-diazepan-1-yl)-N-(2-methylsulfanylphenyl)acetamide Traditional Name: 2-(1,4-diazepan-1-yl)-N-[2-(methylthio)phenyl]acetamide Formula: C14H21N3OS MolecularWeight: 279.40104

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)CN2CCCNCC2

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)CN2CCCNCC2

InChI

InChI=1S/C14H21N3OS/c1-19-13-6-3-2-5-12(13)16-14(18)11-17-9-4-7-15-8-10-17/h2-3,5-6,15H,4,7-11H2,1H3,(H,16,18)