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

Systemtic Name: 1-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Openeye Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea CAS Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(2-methoxy-5-methylphenyl)thiourea IUPAC Name: 1-[3-(4-chlorophenoxy)-5-nitrophenyl]-3-(2-methoxy-5-methylphenyl)thiourea Traditional Name: 1-[3-(4-chlorophenoxy)-5-nitro-phenyl]-3-(2-methoxy-5-methyl-phenyl)thiourea Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4S/c1-13-3-8-20(28-2)19(9-13)24-21(30)23-15-10-16(25(26)27)12-18(11-15)29-17-6-4-14(22)5-7-17/h3-12H,1-2H3,(H2,23,24,30)