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

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]-4-phenyl-benzamide Formula: C25H26N4O3S2 MolecularWeight: 494.62894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H26N4O3S2/c1-34(31,32)29-17-15-28(16-18-29)23-10-6-5-9-22(23)26-25(33)27-24(30)21-13-11-20(12-14-21)19-7-3-2-4-8-19/h2-14H,15-18H2,1H3,(H2,26,27,30,33)