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

Systemtic Name: 3,4-dimethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4-dimethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4-dimethyl-N-[[2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethyl-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4-dimethyl-N-[[2-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C23H28N4O2S MolecularWeight: 424.55902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C23H28N4O2S/c1-4-21(28)27-13-11-26(12-14-27)20-8-6-5-7-19(20)24-23(30)25-22(29)18-10-9-16(2)17(3)15-18/h5-10,15H,4,11-14H2,1-3H3,(H2,24,25,29,30)