N-[2,4-bis(fluoranyl)phenyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H21F2N3O4S2 MolecularWeight: 457.514546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21F2N3O4S2/c1-27-17-6-4-14(12-18(17)28-2)30(25,26)24-9-7-23(8-10-24)19(29)22-16-5-3-13(20)11-15(16)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,29)