N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide

Systemtic Name: N-[[3-chloranyl-2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4-dimethyl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chloro-phenyl]carbamothioyl]-3,4-dimethyl-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)-3-chloroanilino]-sulfanylidenemethyl]-3,4-dimethylbenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]carbamothioyl]-3,4-dimethylbenzamide Traditional Name: N-[[2-(4-acetylpiperazino)-3-chloro-phenyl]thiocarbamoyl]-3,4-dimethyl-benzamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C(=CC=C2)Cl)N3CCN(CC3)C(=O)C)C

InChI

InChI=1S/C22H25ClN4O2S/c1-14-7-8-17(13-15(14)2)21(29)25-22(30)24-19-6-4-5-18(23)20(19)27-11-9-26(10-12-27)16(3)28/h4-8,13H,9-12H2,1-3H3,(H2,24,25,29,30)