N-[(3,4-dichlorophenyl)methyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[(3,4-dichlorophenyl)methyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-[(3,4-dichlorophenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(3,4-dichlorobenzyl)-1,4-diazepane-1-carbothioamide Formula: C15H19Cl2N3OS MolecularWeight: 360.30186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H19Cl2N3OS/c1-11(21)19-5-2-6-20(8-7-19)15(22)18-10-12-3-4-13(16)14(17)9-12/h3-4,9H,2,5-8,10H2,1H3,(H,18,22)