3-chloranyl-N-[[[2-[(2-methoxyphenyl)sulfamoyl]-4-nitro-phenyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[[2-[(2-methoxyphenyl)sulfamoyl]-4-nitro-phenyl]amino]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[2-[(2-methoxyphenyl)sulfamoyl]-4-nitro-anilino]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[[2-[(2-methoxyphenyl)sulfamoyl]-4-nitrophenyl]hydrazo]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[2-[(2-methoxyphenyl)sulfamoyl]-4-nitroanilino]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[2-[(2-methoxyphenyl)sulfamoyl]-4-nitro-anilino]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H18ClN5O6S3 MolecularWeight: 592.06692

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=CC=CC=C1NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NNC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H18ClN5O6S3/c1-35-17-8-4-3-7-15(17)28-38(33,34)19-12-13(29(31)32)10-11-16(19)26-27-23(36)25-22(30)21-20(24)14-6-2-5-9-18(14)37-21/h2-12,26,28H,1H3,(H2,25,27,30,36)