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

Systemtic Name: 3-chloranyl-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[[4-[(4-ethoxyphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[[4-(p-phenetylsulfamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C24H20ClN3O4S3 MolecularWeight: 546.0813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C24H20ClN3O4S3/c1-2-32-17-11-7-16(8-12-17)28-35(30,31)18-13-9-15(10-14-18)26-24(33)27-23(29)22-21(25)19-5-3-4-6-20(19)34-22/h3-14,28H,2H2,1H3,(H2,26,27,29,33)