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

Systemtic Name: 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-methyl-piperazine-1-carbothioamide CAS Name: 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-methylpiperazine-1-carbothioamide Traditional Name: 4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-N-methyl-piperazine-1-carbothioamide Formula: C21H25F2N3OS MolecularWeight: 405.504506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

Isomeric SMILES

CNC(=S)N1CCN(CC1)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H25F2N3OS/c1-24-21(28)26-12-10-25(11-13-26)14-15-27-20(16-2-6-18(22)7-3-16)17-4-8-19(23)9-5-17/h2-9,20H,10-15H2,1H3,(H,24,28)