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

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H22FN3O4S2 MolecularWeight: 439.524083

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H22FN3O4S2/c1-26-15-5-8-18(27-2)17(13-15)21-19(28)22-9-11-23(12-10-22)29(24,25)16-6-3-14(20)4-7-16/h3-8,13H,9-12H2,1-2H3,(H,21,28)