N-(5-chloranyl-2-methoxy-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(5-chloro-2-methoxy-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(5-chloro-2-methoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(5-chloro-2-methoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(5-chloro-2-methoxy-phenyl)-1,4-diazepane-1-carbothioamide Formula: C15H20ClN3O2S MolecularWeight: 341.8562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20ClN3O2S/c1-11(20)18-6-3-7-19(9-8-18)15(22)17-13-10-12(16)4-5-14(13)21-2/h4-5,10H,3,6-9H2,1-2H3,(H,17,22)