N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: 4-benzyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-benzyl-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-benzyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C18H19ClFN3S MolecularWeight: 363.879963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=S)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H19ClFN3S/c19-16-12-15(6-7-17(16)20)21-18(24)23-10-8-22(9-11-23)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,24)