2-(4-chloranyl-2-methyl-phenoxy)-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[[4-(4-ethanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide Openeye Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chloro-2-methyl-phenoxy)acetamide CAS Name: N-[[4-(4-acetyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-(4-chloro-2-methylphenoxy)acetamide IUPAC Name: N-[[4-(4-acetylpiperazin-1-yl)phenyl]carbamothioyl]-2-(4-chloro-2-methylphenoxy)acetamide Traditional Name: N-[[4-(4-acetylpiperazino)phenyl]thiocarbamoyl]-2-(4-chloro-2-methyl-phenoxy)acetamide Formula: C22H25ClN4O3S MolecularWeight: 460.9769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O3S/c1-15-13-17(23)3-8-20(15)30-14-21(29)25-22(31)24-18-4-6-19(7-5-18)27-11-9-26(10-12-27)16(2)28/h3-8,13H,9-12,14H2,1-2H3,(H2,24,25,29,31)