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

Systemtic Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(4-mesylpiperazino)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C19H20N6O3S3 MolecularWeight: 476.5955

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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=NSN=C4C=C3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C3=CC4=NSN=C4C=C3

InChI

InChI=1S/C19H20N6O3S3/c1-31(27,28)25-10-8-24(9-11-25)15-5-3-14(4-6-15)20-19(29)21-18(26)13-2-7-16-17(12-13)23-30-22-16/h2-7,12H,8-11H2,1H3,(H2,20,21,26,29)