2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide CAS Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-N-(3-sulfamoylphenyl)propionamide Formula: C16H14ClN3O3S3 MolecularWeight: 427.94866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C16H14ClN3O3S3/c1-9(24-16-20-13-7-10(17)5-6-14(13)25-16)15(21)19-11-3-2-4-12(8-11)26(18,22)23/h2-9H,1H3,(H,19,21)(H2,18,22,23)