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

Systemtic Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-(4-methylsulfonyl-1-piperazinyl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-(4-methylsulfonylpiperazin-1-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[2-(4-mesylpiperazino)phenyl]thiocarbamoyl]hexanamide Formula: C18H28N4O3S2 MolecularWeight: 412.56992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3S2/c1-3-4-5-10-17(23)20-18(26)19-15-8-6-7-9-16(15)21-11-13-22(14-12-21)27(2,24)25/h6-9H,3-5,10-14H2,1-2H3,(H2,19,20,23,26)