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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C

InChI

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