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

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]valeramide Formula: C17H26N4O3S2 MolecularWeight: 398.54334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C17H26N4O3S2/c1-3-4-9-16(22)19-17(25)18-14-7-5-6-8-15(14)20-10-12-21(13-11-20)26(2,23)24/h5-8H,3-4,9-13H2,1-2H3,(H2,18,19,22,25)