2-methyl-N-[3-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]phenyl]propanamide

Systemtic Name: 2-methyl-N-[3-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]phenyl]propanamide Openeye Name: 2-methyl-N-[3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]phenyl]propanamide CAS Name: 2-methyl-N-[3-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]propanamide IUPAC Name: 2-methyl-N-[3-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]phenyl]propanamide Traditional Name: 2-methyl-N-[3-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]phenyl]propionamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S/c1-12(2)18(25)20-13-4-3-5-14(10-13)21-19(29)22-17(24)11-28-16-8-6-15(7-9-16)23(26)27/h3-10,12H,11H2,1-2H3,(H,20,25)(H2,21,22,24,29)