3-chloranyl-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoranyl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoranyl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]-6-fluoro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]-6-fluoro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]thiocarbamoyl]-6-fluoro-benzothiophene-2-carboxamide Formula: C22H17ClFN5O3S3 MolecularWeight: 550.048483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl)C

InChI

InChI=1S/C22H17ClFN5O3S3/c1-11-9-12(2)26-21(25-11)29-35(31,32)15-6-4-14(5-7-15)27-22(33)28-20(30)19-18(23)16-8-3-13(24)10-17(16)34-19/h3-10H,1-2H3,(H,25,26,29)(H2,27,28,30,33)