4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluoranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluoro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluoro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H24FN3O2S2 MolecularWeight: 421.551863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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