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

Systemtic Name: 3-chloranyl-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-6-methoxy-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-(diethylsulfamoyl)anilino]-sulfanylidenemethyl]-6-methoxy-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]-6-methoxy-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(diethylsulfamoyl)phenyl]thiocarbamoyl]-6-methoxy-benzothiophene-2-carboxamide Formula: C21H22ClN3O4S3 MolecularWeight: 512.06508

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl

InChI

InChI=1S/C21H22ClN3O4S3/c1-4-25(5-2)32(27,28)15-9-6-13(7-10-15)23-21(30)24-20(26)19-18(22)16-11-8-14(29-3)12-17(16)31-19/h6-12H,4-5H2,1-3H3,(H2,23,24,26,30)