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

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2-iodo-benzamide Formula: C21H22IN3O2S MolecularWeight: 507.38775

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C21H22IN3O2S/c22-17-11-5-3-9-15(17)19(26)24-21(28)23-18-12-6-4-10-16(18)20(27)25-13-7-1-2-8-14-25/h3-6,9-12H,1-2,7-8,13-14H2,(H2,23,24,26,28)