4-[bis(4-fluorophenyl)methyl]-N-(4-butylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-butylphenyl)piperazine-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-butylphenyl)piperazine-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-butylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-butylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(4-butylphenyl)piperazine-1-carbothioamide Formula: C28H31F2N3S MolecularWeight: 479.627646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H31F2N3S/c1-2-3-4-21-5-15-26(16-6-21)31-28(34)33-19-17-32(18-20-33)27(22-7-11-24(29)12-8-22)23-9-13-25(30)14-10-23/h5-16,27H,2-4,17-20H2,1H3,(H,31,34)