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

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(2-ethylphenyl)thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(2-ethylphenyl)thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(2-ethylphenyl)thiourea IUPAC Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(2-ethylphenyl)thiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(2-ethylphenyl)thiourea Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H18ClN3O3S/c1-2-14-5-3-4-6-20(14)24-21(29)23-16-11-17(25(26)27)13-19(12-16)28-18-9-7-15(22)8-10-18/h3-13H,2H2,1H3,(H2,23,24,29)