2-[(4-chlorophenyl)methyl]azepane-1-carbothioate

Systemtic Name: 2-[(4-chlorophenyl)methyl]azepane-1-carbothioate Openeye Name: 2-[(4-chlorophenyl)methyl]azepane-1-carbothioate CAS Name: 2-[(4-chlorophenyl)methyl]-1-azepanecarbothioate IUPAC Name: 2-[(4-chlorophenyl)methyl]azepane-1-carbothioate Traditional Name: 2-(4-chlorobenzyl)azepane-1-carbothioate Formula: C14H17ClNOS- MolecularWeight: 282.80888

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(N(CC1)C(=S)[O-])CC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC(N(CC1)C(=S)[O-])CC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H18ClNOS/c15-12-7-5-11(6-8-12)10-13-4-2-1-3-9-16(13)14(17)18/h5-8,13H,1-4,9-10H2,(H,17,18)/p-1