4-ethanoyl-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide

Systemtic Name: 4-ethanoyl-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Openeye Name: 4-acetyl-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide CAS Name: 4-acetyl-N-[3-(methylthio)phenyl]-1,4-diazepane-1-carboxamide IUPAC Name: 4-acetyl-N-(3-methylsulfanylphenyl)-1,4-diazepane-1-carboxamide Traditional Name: 4-acetyl-N-[3-(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=C2)SC

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=O)NC2=CC(=CC=C2)SC

InChI

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