4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(3-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[[2,6-bis(chloranyl)phenyl]methyl]-N-(3-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: N-(3-acetylphenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbothioamide CAS Name: N-(3-acetylphenyl)-4-[(2,6-dichlorophenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: N-(3-acetylphenyl)-4-[(2,6-dichlorophenyl)methyl]piperazine-1-carbothioamide Traditional Name: N-(3-acetylphenyl)-4-(2,6-dichlorobenzyl)piperazine-1-carbothioamide Formula: C20H21Cl2N3OS MolecularWeight: 422.37124

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=CC=C3Cl)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)N2CCN(CC2)CC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C20H21Cl2N3OS/c1-14(26)15-4-2-5-16(12-15)23-20(27)25-10-8-24(9-11-25)13-17-18(21)6-3-7-19(17)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)