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

Systemtic Name: 4-[(2-chlorophenyl)methyl]-2-methyl-piperazine-1-carbothioate Openeye Name: 4-[(2-chlorophenyl)methyl]-2-methyl-piperazine-1-carbothioate CAS Name: 4-[(2-chlorophenyl)methyl]-2-methyl-1-piperazinecarbothioate IUPAC Name: 4-[(2-chlorophenyl)methyl]-2-methylpiperazine-1-carbothioate Traditional Name: 4-(2-chlorobenzyl)-2-methyl-piperazine-1-carbothioate Formula: C13H16ClN2OS- MolecularWeight: 283.79694

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)[O-])CC2=CC=CC=C2Cl

Isomeric SMILES

CC1CN(CCN1C(=S)[O-])CC2=CC=CC=C2Cl

InChI

InChI=1S/C13H17ClN2OS/c1-10-8-15(6-7-16(10)13(17)18)9-11-4-2-3-5-12(11)14/h2-5,10H,6-9H2,1H3,(H,17,18)/p-1