N-(3-chlorophenyl)azepane-1-carbothioamide

Systemtic Name: N-(3-chlorophenyl)azepane-1-carbothioamide Openeye Name: N-(3-chlorophenyl)azepane-1-carbothioamide CAS Name: N-(3-chlorophenyl)-1-azepanecarbothioamide IUPAC Name: N-(3-chlorophenyl)azepane-1-carbothioamide Traditional Name: N-(3-chlorophenyl)azepane-1-carbothioamide Formula: C13H17ClN2S MolecularWeight: 268.80548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17ClN2S/c14-11-6-5-7-12(10-11)15-13(17)16-8-3-1-2-4-9-16/h5-7,10H,1-4,8-9H2,(H,15,17)