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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)NS(=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/c1-21(2,3)25-32(27,28)14-8-5-12(6-9-14)23-20(30)24-19(26)18-17(22)15-10-7-13(29-4)11-16(15)31-18/h5-11,25H,1-4H3,(H2,23,24,26,30)