3-chloranyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(3-prop-2-ynyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-propargyl-6-sulfamoyl-1,3-benzothiazol-2-ylidene)benzothiophene-2-carboxamide Formula: C19H12ClN3O3S3 MolecularWeight: 461.96488

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C19H12ClN3O3S3/c1-2-9-23-13-8-7-11(29(21,25)26)10-15(13)28-19(23)22-18(24)17-16(20)12-5-3-4-6-14(12)27-17/h1,3-8,10H,9H2,(H2,21,25,26)