N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C26H28N4O4S2 MolecularWeight: 524.65492

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O4S2/c1-36(32,33)30-16-14-29(15-17-30)23-12-10-22(11-13-23)27-26(35)28-25(31)21-8-5-9-24(18-21)34-19-20-6-3-2-4-7-20/h2-13,18H,14-17,19H2,1H3,(H2,27,28,31,35)