N-[2,4-bis(fluoranyl)phenyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2,4-difluorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2,4-difluorophenyl)-4-(2,5-dimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-(2,5-dimethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H21F2N3O2S2 MolecularWeight: 425.515746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C=C(C=C3)F)F

InChI

InChI=1S/C19H21F2N3O2S2/c1-13-3-4-14(2)18(11-13)28(25,26)24-9-7-23(8-10-24)19(27)22-17-6-5-15(20)12-16(17)21/h3-6,11-12H,7-10H2,1-2H3,(H,22,27)