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

Systemtic Name: 3-methoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3-methoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-methoxy-N-[[2-[4-(1-oxopropyl)-1-piperazinyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methoxy-N-[[2-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3-methoxy-N-[[2-(4-propionylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C22H26N4O3S MolecularWeight: 426.53184

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(=CC=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3S/c1-3-20(27)26-13-11-25(12-14-26)19-10-5-4-9-18(19)23-22(30)24-21(28)16-7-6-8-17(15-16)29-2/h4-10,15H,3,11-14H2,1-2H3,(H2,23,24,28,30)