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

Systemtic Name: 3-chloranyl-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(4-sulfamoylanilino)-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(4-sulfamoylphenyl)carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[(4-sulfamoylphenyl)thiocarbamoyl]benzothiophene-2-carboxamide Formula: C16H12ClN3O3S3 MolecularWeight: 425.93278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H12ClN3O3S3/c17-13-11-3-1-2-4-12(11)25-14(13)15(21)20-16(24)19-9-5-7-10(8-6-9)26(18,22)23/h1-8H,(H2,18,22,23)(H2,19,20,21,24)