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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2,2-diphenyl-acetamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O2S/c32-26(25(21-13-5-3-6-14-21)22-15-7-4-8-16-22)30-28(34)29-24-18-10-9-17-23(24)27(33)31-19-11-1-2-12-20-31/h3-10,13-18,25H,1-2,11-12,19-20H2,(H2,29,30,32,34)