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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H25N3O3S MolecularWeight: 411.5172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC=C2C(=O)N3CCCCCC3

InChI

InChI=1S/C22H25N3O3S/c1-28-19-13-7-5-11-17(19)20(26)24-22(29)23-18-12-6-4-10-16(18)21(27)25-14-8-2-3-9-15-25/h4-7,10-13H,2-3,8-9,14-15H2,1H3,(H2,23,24,26,29)