N-(4-bromanyl-2-chloranyl-phenyl)azepane-1-carbothioamide

Systemtic Name: N-(4-bromanyl-2-chloranyl-phenyl)azepane-1-carbothioamide Openeye Name: N-(4-bromo-2-chloro-phenyl)azepane-1-carbothioamide CAS Name: N-(4-bromo-2-chlorophenyl)-1-azepanecarbothioamide IUPAC Name: N-(4-bromo-2-chlorophenyl)azepane-1-carbothioamide Traditional Name: N-(4-bromo-2-chloro-phenyl)azepane-1-carbothioamide Formula: C13H16BrClN2S MolecularWeight: 347.70154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C13H16BrClN2S/c14-10-5-6-12(11(15)9-10)16-13(18)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8H2,(H,16,18)