N-[2,4-bis(fluoranyl)phenyl]-4-(4-butan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-4-(4-butan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2,4-difluorophenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2,4-difluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(2,4-difluorophenyl)piperazine-1-carbothioamide Traditional Name: N-(2,4-difluorophenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H25F2N3O2S2 MolecularWeight: 453.568906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F2N3O2S2/c1-3-15(2)16-4-7-18(8-5-16)30(27,28)26-12-10-25(11-13-26)21(29)24-20-9-6-17(22)14-19(20)23/h4-9,14-15H,3,10-13H2,1-2H3,(H,24,29)