N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2,4-bis(chloranyl)benzamide

Systemtic Name: N-[[2-(azepan-1-ylcarbonyl)phenyl]carbamothioyl]-2,4-bis(chloranyl)benzamide Openeye Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,4-dichloro-benzamide CAS Name: N-[[2-[1-azepanyl(oxo)methyl]anilino]-sulfanylidenemethyl]-2,4-dichlorobenzamide IUPAC Name: N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]-2,4-dichlorobenzamide Traditional Name: N-[[2-(azepane-1-carbonyl)phenyl]thiocarbamoyl]-2,4-dichloro-benzamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O2S/c22-14-9-10-15(17(23)13-14)19(27)25-21(29)24-18-8-4-3-7-16(18)20(28)26-11-5-1-2-6-12-26/h3-4,7-10,13H,1-2,5-6,11-12H2,(H2,24,25,27,29)