N-(5-chloranyl-2-methyl-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methylphenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methylphenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C13H18ClN3O2S2 MolecularWeight: 347.88392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H18ClN3O2S2/c1-10-3-4-11(14)9-12(10)15-13(20)16-5-7-17(8-6-16)21(2,18)19/h3-4,9H,5-8H2,1-2H3,(H,15,20)