1-(2-chloranyl-5-nitro-phenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea Formula: C15H15ClN4O4S2 MolecularWeight: 414.887

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)S(=O)(=O)N

InChI

InChI=1S/C15H15ClN4O4S2/c16-13-6-3-11(20(21)22)9-14(13)19-15(25)18-8-7-10-1-4-12(5-2-10)26(17,23)24/h1-6,9H,7-8H2,(H2,17,23,24)(H2,18,19,25)