(5-chloranyl-4-methyl-2-sulfamoyl-phenyl) (1Z)-N-[(4-nitrophenyl)amino]propanimidothioate

Systemtic Name: (5-chloranyl-4-methyl-2-sulfamoyl-phenyl) (1Z)-N-[(4-nitrophenyl)amino]propanimidothioate Openeye Name: (5-chloro-4-methyl-2-sulfamoyl-phenyl) (1Z)-N-(4-nitroanilino)propanimidothioate CAS Name: (1Z)-N-(4-nitroanilino)propanimidothioic acid (5-chloro-4-methyl-2-sulfamoylphenyl) ester IUPAC Name: (5-chloro-4-methyl-2-sulfamoylphenyl) (1Z)-N-(4-nitroanilino)propanimidothioate Traditional Name: (1Z)-N-(4-nitroanilino)thiopropionimidic acid (5-chloro-4-methyl-2-sulfamoyl-phenyl) ester Formula: C16H17ClN4O4S2 MolecularWeight: 428.91358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NNC1=CC=C(C=C1)[N+](=O)[O-])SC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N

Isomeric SMILES

CC/C(=N/NC1=CC=C(C=C1)[N+](=O)[O-])/SC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N

InChI

InChI=1S/C16H17ClN4O4S2/c1-3-16(20-19-11-4-6-12(7-5-11)21(22)23)26-14-9-13(17)10(2)8-15(14)27(18,24)25/h4-9,19H,3H2,1-2H3,(H2,18,24,25)/b20-16-