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

Systemtic Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C20H24N4O3S2 MolecularWeight: 432.55956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N4O3S2/c1-29(26,27)24-13-11-23(12-14-24)18-9-7-17(8-10-18)21-20(28)22-19(25)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H2,21,22,25,28)