N-(4-butan-2-ylphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butan-2-ylphenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-butan-2-ylphenyl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butan-2-ylphenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-(4-sec-butylphenyl)piperazine-1-carbothioamide Formula: C21H26FN3O2S2 MolecularWeight: 435.578443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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