N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]ethanamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]ethanamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]acetamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]acetamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]acetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCCC2

Isomeric SMILES

CC(=O)NC(=S)NC1=CC=CC=C1C(=O)N2CCCCCC2

InChI

InChI=1S/C16H21N3O2S/c1-12(20)17-16(22)18-14-9-5-4-8-13(14)15(21)19-10-6-2-3-7-11-19/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,17,18,20,22)