N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide

Systemtic Name: N-[[4-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2,2-diphenyl-ethanamide Openeye Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,2-diphenyl-acetamide CAS Name: N-[[4-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2,2-diphenylacetamide IUPAC Name: N-[[4-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,2-diphenylacetamide Traditional Name: N-[[4-(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=C(C=C2)NC(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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