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

Systemtic Name: 3-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-methyl-N-[[4-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methyl-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-methyl-N-[[4-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H26N4O2S MolecularWeight: 410.53244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O2S/c1-3-20(27)26-13-11-25(12-14-26)19-9-7-18(8-10-19)23-22(29)24-21(28)17-6-4-5-16(2)15-17/h4-10,15H,3,11-14H2,1-2H3,(H2,23,24,28,29)