1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(2-methoxy-4-nitro-phenyl)thiourea

Systemtic Name: 1-(4-chloranyl-2,5-dimethoxy-phenyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Openeye Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-(2-methoxy-4-nitro-phenyl)thiourea CAS Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea IUPAC Name: 1-(4-chloro-2,5-dimethoxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea Traditional Name: 1-(4-chloro-2,5-dimethoxy-phenyl)-3-(2-methoxy-4-nitro-phenyl)thiourea Formula: C16H16ClN3O5S MolecularWeight: 397.83334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=C(C=C(C=C2)[N+](=O)[O-])OC)OC)Cl

InChI

InChI=1S/C16H16ClN3O5S/c1-23-13-8-12(15(25-3)7-10(13)17)19-16(26)18-11-5-4-9(20(21)22)6-14(11)24-2/h4-8H,1-3H3,(H2,18,19,26)