2-chloranyl-N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 2-chloranyl-N-[[2-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methyl-benzamide CAS Name: N-[[2-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-chloro-4-methylbenzamide IUPAC Name: N-[[2-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-chloro-4-methylbenzamide Traditional Name: N-[[2-(4-acetylpiperazino)phenyl]thiocarbamoyl]-2-chloro-4-methyl-benzamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)C(=O)C)Cl

InChI

InChI=1S/C21H23ClN4O2S/c1-14-7-8-16(17(22)13-14)20(28)24-21(29)23-18-5-3-4-6-19(18)26-11-9-25(10-12-26)15(2)27/h3-8,13H,9-12H2,1-2H3,(H2,23,24,28,29)