S-[[2,4,5-tris(chloranyl)phenyl]methyl] azepane-1-carbothioate

Systemtic Name: S-[[2,4,5-tris(chloranyl)phenyl]methyl] azepane-1-carbothioate Openeye Name: S-[(2,4,5-trichlorophenyl)methyl] azepane-1-carbothioate CAS Name: 1-azepanecarbothioic acid S-[(2,4,5-trichlorophenyl)methyl] ester IUPAC Name: S-[(2,4,5-trichlorophenyl)methyl] azepane-1-carbothioate Traditional Name: azepane-1-carbothioic acid S-(2,4,5-trichlorobenzyl) ester Formula: C14H16Cl3NOS MolecularWeight: 352.70694

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)SCC2=CC(=C(C=C2Cl)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)SCC2=CC(=C(C=C2Cl)Cl)Cl

InChI

InChI=1S/C14H16Cl3NOS/c15-11-8-13(17)12(16)7-10(11)9-20-14(19)18-5-3-1-2-4-6-18/h7-8H,1-6,9H2