N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C22H26N4O3S MolecularWeight: 426.53184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H26N4O3S/c1-16-4-3-5-20(14-16)29-15-21(28)24-22(30)23-18-6-8-19(9-7-18)26-12-10-25(11-13-26)17(2)27/h3-9,14H,10-13,15H2,1-2H3,(H2,23,24,28,30)