N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dimethoxyphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,5-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(=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)OC

Isomeric SMILES

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

InChI

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