4-(2,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(2,4-dimethylphenyl)sulfonyl-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C20H24FN3O2S2 MolecularWeight: 421.551863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H24FN3O2S2/c1-15-3-8-19(16(2)13-15)28(25,26)24-11-9-23(10-12-24)20(27)22-14-17-4-6-18(21)7-5-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)