1-(2-methylprop-2-enyl)-3-[2-(2-nitrophenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(2-methylprop-2-enyl)-3-[2-(2-nitrophenoxy)ethanoylamino]thiourea Openeye Name: 1-(2-methylallyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea CAS Name: 1-(2-methylprop-2-enyl)-3-[[2-(2-nitrophenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(2-methylprop-2-enyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea Traditional Name: 1-(2-methylallyl)-3-[[2-(2-nitrophenoxy)acetyl]amino]thiourea Formula: C13H16N4O4S MolecularWeight: 324.35554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=S)NNC(=O)COC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(=C)CNC(=S)NNC(=O)COC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O4S/c1-9(2)7-14-13(22)16-15-12(18)8-21-11-6-4-3-5-10(11)17(19)20/h3-6H,1,7-8H2,2H3,(H,15,18)(H2,14,16,22)