4-[bis(4-fluorophenyl)methyl]-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxy-5-phenylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxy-5-phenylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[bis(4-fluorophenyl)methyl]-N-(2-methoxy-5-phenyl-phenyl)piperazine-1-carbothioamide Formula: C31H29F2N3OS MolecularWeight: 529.643266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=CC=C2)NC(=S)N3CCN(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H29F2N3OS/c1-37-29-16-11-25(22-5-3-2-4-6-22)21-28(29)34-31(38)36-19-17-35(18-20-36)30(23-7-12-26(32)13-8-23)24-9-14-27(33)15-10-24/h2-16,21,30H,17-20H2,1H3,(H,34,38)