3-chloranyl-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H20ClN3O3S3 MolecularWeight: 530.0819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C

InChI

InChI=1S/C24H20ClN3O3S3/c1-14-7-8-17(13-15(14)2)28-34(30,31)18-11-9-16(10-12-18)26-24(32)27-23(29)22-21(25)19-5-3-4-6-20(19)33-22/h3-13,28H,1-2H3,(H2,26,27,29,32)