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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c26-20(16-17-10-4-3-5-11-17)24-22(28)23-19-13-7-6-12-18(19)21(27)25-14-8-1-2-9-15-25/h3-7,10-13H,1-2,8-9,14-16H2,(H2,23,24,26,28)