N-[3,5-bis(chloranyl)phenyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(3,5-dichlorophenyl)-1,4-diazepane-1-carbothioamide Formula: C14H17Cl2N3OS MolecularWeight: 346.27528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=CC(=CC(=C2)Cl)Cl

InChI

InChI=1S/C14H17Cl2N3OS/c1-10(20)18-3-2-4-19(6-5-18)14(21)17-13-8-11(15)7-12(16)9-13/h7-9H,2-6H2,1H3,(H,17,21)