N-(2-fluorophenyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-fluorophenyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-fluorophenyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-fluorophenyl)-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-fluorophenyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-fluorophenyl)-4-mesitylsulfonyl-piperazine-1-carbothioamide Formula: C20H24FN3O2S2 MolecularWeight: 421.551863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3F)C

InChI

InChI=1S/C20H24FN3O2S2/c1-14-12-15(2)19(16(3)13-14)28(25,26)24-10-8-23(9-11-24)20(27)22-18-7-5-4-6-17(18)21/h4-7,12-13H,8-11H2,1-3H3,(H,22,27)