4-ethanoyl-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-ethanoyl-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carboxamide Formula: C15H21N3O2S MolecularWeight: 307.41114

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=CC=C2SC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=CC=CC=C2SC

InChI

InChI=1S/C15H21N3O2S/c1-12(19)17-8-5-9-18(11-10-17)15(20)16-13-6-3-4-7-14(13)21-2/h3-4,6-7H,5,8-11H2,1-2H3,(H,16,20)