3-chloranyl-N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide

Systemtic Name: 3-chloranyl-N-[[3-chloranyl-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[3-chloro-2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[3-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[[3-chloro-2-(4-propionylpiperazino)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C22H24Cl2N4O2S MolecularWeight: 479.42256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=C(C=CC=C2Cl)NC(=S)NC(=O)C3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H24Cl2N4O2S/c1-3-19(29)27-9-11-28(12-10-27)20-16(23)5-4-6-18(20)25-22(31)26-21(30)15-8-7-14(2)17(24)13-15/h4-8,13H,3,9-12H2,1-2H3,(H2,25,26,30,31)