3-chloranyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(2-furylmethylsulfamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(2-furanylmethylsulfamoyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(2-furfurylsulfamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C21H16ClN3O4S3 MolecularWeight: 506.01744

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)NCC4=CC=CO4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4)Cl

InChI

InChI=1S/C21H16ClN3O4S3/c22-18-16-5-1-2-6-17(16)31-19(18)20(26)25-21(30)24-13-7-9-15(10-8-13)32(27,28)23-12-14-4-3-11-29-14/h1-11,23H,12H2,(H2,24,25,26,30)