4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-dimethylphenyl)sulfonyl-N-(3-fluorophenyl)piperazine-1-carbothioamide Formula: C19H22FN3O2S2 MolecularWeight: 407.525283

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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=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C19H22FN3O2S2/c1-14-6-7-15(2)18(12-14)27(24,25)23-10-8-22(9-11-23)19(26)21-17-5-3-4-16(20)13-17/h3-7,12-13H,8-11H2,1-2H3,(H,21,26)