N-[4-[[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide

Systemtic Name: N-[4-[[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Openeye Name: N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide CAS Name: N-[4-[[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclohexanecarboxamide IUPAC Name: N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclohexanecarboxamide Traditional Name: N-[4-[[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclohexanecarboxamide Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6S/c29-20(14-34-19-12-10-18(11-13-19)28(32)33)25-23(35)27-26-22(31)16-6-8-17(9-7-16)24-21(30)15-4-2-1-3-5-15/h6-13,15H,1-5,14H2,(H,24,30)(H,26,31)(H2,25,27,29,35)