2-phenoxy-N-[[4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

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