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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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