4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide

Systemtic Name: 4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Openeye Name: 4-[2-(azepan-1-yl)-2-oxo-ethyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-[2-(1-azepanyl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-[2-(azepan-1-yl)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-[2-(azepan-1-yl)-2-keto-ethyl]-N-(4-fluorobenzyl)piperazine-1-carbothioamide Formula: C20H29FN4OS MolecularWeight: 392.533863

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2CCN(CC2)C(=S)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C20H29FN4OS/c21-18-7-5-17(6-8-18)15-22-20(27)25-13-11-23(12-14-25)16-19(26)24-9-3-1-2-4-10-24/h5-8H,1-4,9-16H2,(H,22,27)