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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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