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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]propanamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]propanamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]propanamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]propionamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O2S/c1-2-15(21)19-17(23)18-14-10-6-5-9-13(14)16(22)20-11-7-3-4-8-12-20/h5-6,9-10H,2-4,7-8,11-12H2,1H3,(H2,18,19,21,23)