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

Systemtic Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(4-ethyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(4-ethylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(4-ethylpiperazino)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O2S/c1-2-24-12-14-25(15-13-24)18-10-8-17(9-11-18)22-21(28)23-20(26)16-27-19-6-4-3-5-7-19/h3-11H,2,12-16H2,1H3,(H2,22,23,26,28)