4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbothioamide Formula: C20H21ClFN3OS MolecularWeight: 405.916643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H21ClFN3OS/c1-14(26)15-3-2-4-18(11-15)23-20(27)25-9-7-24(8-10-25)13-16-5-6-17(22)12-19(16)21/h2-6,11-12H,7-10,13H2,1H3,(H,23,27)