1-(4-ethanoylphenyl)-3-[2-(4-nitrophenoxy)ethanoylamino]thiourea

Systemtic Name: 1-(4-ethanoylphenyl)-3-[2-(4-nitrophenoxy)ethanoylamino]thiourea Openeye Name: 1-(4-acetylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]thiourea CAS Name: 1-(4-acetylphenyl)-3-[[2-(4-nitrophenoxy)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[[2-(4-nitrophenoxy)acetyl]amino]thiourea Formula: C17H16N4O5S MolecularWeight: 388.39774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O5S/c1-11(22)12-2-4-13(5-3-12)18-17(27)20-19-16(23)10-26-15-8-6-14(7-9-15)21(24)25/h2-9H,10H2,1H3,(H,19,23)(H2,18,20,27)