N-[(4-chlorophenyl)methyl]azepane-1-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]azepane-1-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]azepane-1-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-1-azepanecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]azepane-1-carbothioamide Traditional Name: N-(4-chlorobenzyl)azepane-1-carbothioamide Formula: C14H19ClN2S MolecularWeight: 282.83206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCCN(CC1)C(=S)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2S/c15-13-7-5-12(6-8-13)11-16-14(18)17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)