N-[[4-[2-(2-nitrophenoxy)ethanoylcarbamothioylamino]phenyl]carbamothioyl]propanamide

Systemtic Name: N-[[4-[2-(2-nitrophenoxy)ethanoylcarbamothioylamino]phenyl]carbamothioyl]propanamide Openeye Name: N-[[4-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide CAS Name: N-[[4-[[[[2-(2-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[4-[[2-(2-nitrophenoxy)acetyl]carbamothioylamino]phenyl]carbamothioyl]propanamide Traditional Name: N-[[4-[[2-(2-nitrophenoxy)acetyl]thiocarbamoylamino]phenyl]thiocarbamoyl]propionamide Formula: C19H19N5O5S2 MolecularWeight: 461.51466

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC=C(C=C1)NC(=S)NC(=O)COC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S2/c1-2-16(25)22-18(30)20-12-7-9-13(10-8-12)21-19(31)23-17(26)11-29-15-6-4-3-5-14(15)24(27)28/h3-10H,2,11H2,1H3,(H2,20,22,25,30)(H2,21,23,26,31)