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

Systemtic Name: N-[4-[[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]cyclopropanecarboxamide Formula: C20H19N5O6S MolecularWeight: 457.45976

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O6S/c26-17(11-31-16-9-7-15(8-10-16)25(29)30)22-20(32)24-23-19(28)13-3-5-14(6-4-13)21-18(27)12-1-2-12/h3-10,12H,1-2,11H2,(H,21,27)(H,23,28)(H2,22,24,26,32)