4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,6-bis(fluoranyl)phenyl]sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,6-difluorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2,6-difluorophenyl)sulfonyl-N-(3,4-dimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,6-difluorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,6-difluorophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperazine-1-carbothioamide Formula: C19H21F2N3O2S2 MolecularWeight: 425.515746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C=CC=C3F)F)C

InChI

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