N-(2,5-dimethoxyphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-mesyl-piperazine-1-carbothioamide Formula: C14H21N3O4S2 MolecularWeight: 359.46424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C14H21N3O4S2/c1-20-11-4-5-13(21-2)12(10-11)15-14(22)16-6-8-17(9-7-16)23(3,18)19/h4-5,10H,6-9H2,1-3H3,(H,15,22)