N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]cyclohexanecarboxamide

Systemtic Name: N-[[2-(4-nitrophenoxy)ethanoylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[2-(4-nitrophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[[2-(4-nitrophenoxy)acetyl]amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5S/c21-14(10-25-13-8-6-12(7-9-13)20(23)24)18-19-16(26)17-15(22)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,18,21)(H2,17,19,22,26)