3,4,5-triethoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,4,5-triethoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Openeye Name: 3,4,5-triethoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide CAS Name: 3,4,5-triethoxy-N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4,5-triethoxy-N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]benzamide Traditional Name: 3,4,5-triethoxy-N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]benzamide Formula: C25H34N4O6S2 MolecularWeight: 550.69066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC=C2N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C25H34N4O6S2/c1-5-33-21-16-18(17-22(34-6-2)23(21)35-7-3)24(30)27-25(36)26-19-10-8-9-11-20(19)28-12-14-29(15-13-28)37(4,31)32/h8-11,16-17H,5-7,12-15H2,1-4H3,(H2,26,27,30,36)