N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(2,5-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H21ClFN3O4S2 MolecularWeight: 473.969143

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C19H21ClFN3O4S2/c1-27-14-4-6-17(28-2)18(12-14)30(25,26)24-9-7-23(8-10-24)19(29)22-13-3-5-16(21)15(20)11-13/h3-6,11-12H,7-10H2,1-2H3,(H,22,29)