N-[2,2,2-tris(chloranyl)-1-[[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]carbamothioylamino]ethyl]hexanamide

Systemtic Name: N-[2,2,2-tris(chloranyl)-1-[[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]carbamothioylamino]ethyl]hexanamide Openeye Name: N-[2,2,2-trichloro-1-[[2-[(p-tolylsulfonylamino)carbamoyl]phenyl]carbamothioylamino]ethyl]hexanamide CAS Name: N-[2,2,2-trichloro-1-[[[2-[[(4-methylphenyl)sulfonylhydrazo]-oxomethyl]anilino]-sulfanylidenemethyl]amino]ethyl]hexanamide IUPAC Name: N-[2,2,2-trichloro-1-[[2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]carbamothioylamino]ethyl]hexanamide Traditional Name: N-[2,2,2-trichloro-1-[[2-[(tosylamino)carbamoyl]phenyl]thiocarbamoylamino]ethyl]hexanamide Formula: C23H28Cl3N5O4S2 MolecularWeight: 608.98852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC=C1C(=O)NNS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H28Cl3N5O4S2/c1-3-4-5-10-19(32)28-21(23(24,25)26)29-22(36)27-18-9-7-6-8-17(18)20(33)30-31-37(34,35)16-13-11-15(2)12-14-16/h6-9,11-14,21,31H,3-5,10H2,1-2H3,(H,28,32)(H,30,33)(H2,27,29,36)