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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClFN3S/c1-3-16(2)17-5-8-20(9-6-17)25-22(28)27-12-10-26(11-13-27)15-18-4-7-19(24)14-21(18)23/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,25,28)