1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(4-ethanoylphenyl)thiourea

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(4-ethanoylphenyl)thiourea Openeye Name: 1-(4-acetylphenyl)-3-[3-(4-chlorophenoxy)-5-nitro-phenyl]thiourea CAS Name: 1-(4-acetylphenyl)-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea IUPAC Name: 1-(4-acetylphenyl)-3-[3-(4-chlorophenoxy)-5-nitrophenyl]thiourea Traditional Name: 1-(4-acetylphenyl)-3-[3-(4-chlorophenoxy)-5-nitro-phenyl]thiourea Formula: C21H16ClN3O4S MolecularWeight: 441.88744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16ClN3O4S/c1-13(26)14-2-6-16(7-3-14)23-21(30)24-17-10-18(25(27)28)12-20(11-17)29-19-8-4-15(22)5-9-19/h2-12H,1H3,(H2,23,24,30)