1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-p-cumenyl-thiourea Formula: C22H20ClN3O3S MolecularWeight: 441.9305

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S/c1-14(2)15-3-7-17(8-4-15)24-22(30)25-18-11-19(26(27)28)13-21(12-18)29-20-9-5-16(23)6-10-20/h3-14H,1-2H3,(H2,24,25,30)