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

Systemtic Name: 3-chloranyl-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[(4-methoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C23H18ClN3O4S3 MolecularWeight: 532.05472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C23H18ClN3O4S3/c1-31-16-10-6-15(7-11-16)27-34(29,30)17-12-8-14(9-13-17)25-23(32)26-22(28)21-20(24)18-4-2-3-5-19(18)33-21/h2-13,27H,1H3,(H2,25,26,28,32)