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

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(5-chloro-2-methoxyphenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C13H18ClN3O3S2 MolecularWeight: 363.88332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H18ClN3O3S2/c1-20-12-4-3-10(14)9-11(12)15-13(21)16-5-7-17(8-6-16)22(2,18)19/h3-4,9H,5-8H2,1-2H3,(H,15,21)