N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-methyl-propanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-methyl-propanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-methyl-propanamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-methylpropanamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-methylpropanamide Traditional Name: N-[[4-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-methyl-propionamide Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCCCC2

Isomeric SMILES

CC(C)C(=O)NC(=S)NC1=CC=C(C=C1)C(=O)N2CCCCCC2

InChI

InChI=1S/C18H25N3O2S/c1-13(2)16(22)20-18(24)19-15-9-7-14(8-10-15)17(23)21-11-5-3-4-6-12-21/h7-10,13H,3-6,11-12H2,1-2H3,(H2,19,20,22,24)