4-(4-tert-butylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-(4-fluorophenyl)piperazine-1-carbothioamide Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O2S2/c1-21(2,3)16-4-10-19(11-5-16)29(26,27)25-14-12-24(13-15-25)20(28)23-18-8-6-17(22)7-9-18/h4-11H,12-15H2,1-3H3,(H,23,28)