S-(thiiran-2-ylmethyl) 4-(3-chlorophenyl)piperazine-1-carbothioate

Systemtic Name: S-(thiiran-2-ylmethyl) 4-(3-chlorophenyl)piperazine-1-carbothioate Openeye Name: S-(thiiran-2-ylmethyl) 4-(3-chlorophenyl)piperazine-1-carbothioate CAS Name: 4-(3-chlorophenyl)-1-piperazinecarbothioic acid S-(2-thiiranylmethyl) ester IUPAC Name: S-(thiiran-2-ylmethyl) 4-(3-chlorophenyl)piperazine-1-carbothioate Traditional Name: 4-(3-chlorophenyl)piperazine-1-carbothioic acid S-(thiiran-2-ylmethyl) ester Formula: C14H17ClN2OS2 MolecularWeight: 328.88058

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)SCC3CS3

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)SCC3CS3

InChI

InChI=1S/C14H17ClN2OS2/c15-11-2-1-3-12(8-11)16-4-6-17(7-5-16)14(18)20-10-13-9-19-13/h1-3,8,13H,4-7,9-10H2