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

Systemtic Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C20H24N4O4S2 MolecularWeight: 448.55896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O4S2/c1-30(26,27)24-13-11-23(12-14-24)17-9-7-16(8-10-17)21-20(29)22-19(25)15-28-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H2,21,22,25,29)