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

Systemtic Name: N-(4-butylphenyl)-4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-[(2-chloro-4-fluoro-phenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-[(2-chloro-4-fluorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(2-chloro-4-fluoro-benzyl)piperazine-1-carbothioamide Formula: C22H27ClFN3S MolecularWeight: 419.986283

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H27ClFN3S/c1-2-3-4-17-5-9-20(10-6-17)25-22(28)27-13-11-26(12-14-27)16-18-7-8-19(24)15-21(18)23/h5-10,15H,2-4,11-14,16H2,1H3,(H,25,28)