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

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(3,5-dimethoxyphenyl)thiourea Formula: C21H18ClN3O5S MolecularWeight: 459.90272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C21H18ClN3O5S/c1-28-18-8-15(9-19(12-18)29-2)24-21(31)23-14-7-16(25(26)27)11-20(10-14)30-17-5-3-13(22)4-6-17/h3-12H,1-2H3,(H2,23,24,31)