4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-(4,5-dimethoxy-2-methyl-benzyl)-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C22H28FN3O2S MolecularWeight: 417.540023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C22H28FN3O2S/c1-16-12-20(27-2)21(28-3)13-18(16)15-25-8-10-26(11-9-25)22(29)24-14-17-4-6-19(23)7-5-17/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,24,29)