4-(2-cyanophenyl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2-cyanophenyl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-cyanophenyl)sulfonyl-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C19H19FN4O2S2 MolecularWeight: 418.508163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)F

InChI

InChI=1S/C19H19FN4O2S2/c1-14-6-7-16(12-17(14)20)22-19(27)23-8-10-24(11-9-23)28(25,26)18-5-3-2-4-15(18)13-21/h2-7,12H,8-11H2,1H3,(H,22,27)