4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(3-fluoranyl-4-methoxy-phenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 4-[(3-fluoro-4-methoxy-phenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-[(3-fluoro-4-methoxyphenyl)methyl]-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 4-(3-fluoro-4-methoxy-benzyl)-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C21H26FN3OS2 MolecularWeight: 419.579043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=S)NCCSC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=S)NCCSC3=CC=CC=C3)F

InChI

InChI=1S/C21H26FN3OS2/c1-26-20-8-7-17(15-19(20)22)16-24-10-12-25(13-11-24)21(27)23-9-14-28-18-5-3-2-4-6-18/h2-8,15H,9-14,16H2,1H3,(H,23,27)