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

Systemtic Name: 3-chloranyl-6-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-methoxy-N-[[4-(phenethylsulfamoyl)anilino]-sulfanylidenemethyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]carbamothioyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-methoxy-N-[[4-(phenethylsulfamoyl)phenyl]thiocarbamoyl]benzothiophene-2-carboxamide Formula: C25H22ClN3O4S3 MolecularWeight: 560.10788

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H22ClN3O4S3/c1-33-18-9-12-20-21(15-18)35-23(22(20)26)24(30)29-25(34)28-17-7-10-19(11-8-17)36(31,32)27-14-13-16-5-3-2-4-6-16/h2-12,15,27H,13-14H2,1H3,(H2,28,29,30,34)