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

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Openeye Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]thiophene-2-carboxamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]thiophene-2-carboxamide Formula: C17H20N4O3S3 MolecularWeight: 424.5607

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N4O3S3/c1-27(23,24)21-10-8-20(9-11-21)14-6-3-2-5-13(14)18-17(25)19-16(22)15-7-4-12-26-15/h2-7,12H,8-11H2,1H3,(H2,18,19,22,25)