3-chloranyl-6-methoxy-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-methoxy-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[(4-sulfamoylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[(4-sulfamoylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C17H14ClN3O4S3 MolecularWeight: 455.95876

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C17H14ClN3O4S3/c1-25-10-4-7-12-13(8-10)27-15(14(12)18)16(22)21-17(26)20-9-2-5-11(6-3-9)28(19,23)24/h2-8H,1H3,(H2,19,23,24)(H2,20,21,22,26)