N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]-piperonylamide Formula: C20H22N4O5S2 MolecularWeight: 462.54248

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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=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N4O5S2/c1-31(26,27)24-10-8-23(9-11-24)16-5-3-15(4-6-16)21-20(30)22-19(25)14-2-7-17-18(12-14)29-13-28-17/h2-7,12H,8-11,13H2,1H3,(H2,21,22,25,30)