N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[4-(ethylcarbamothioyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-[4-[ethylamino(sulfanylidene)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[4-(ethylcarbamothioyl)piperazin-1-yl]acetamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-[4-(ethylthiocarbamoyl)piperazino]acetamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCNC(=S)N1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25ClN4O2S/c1-2-24-22(30)27-12-10-26(11-13-27)15-20(28)25-19-9-8-17(23)14-18(19)21(29)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3,(H,24,30)(H,25,28)