3-(1,3-benzothiazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[3-(tert-butylsulfamoyl)phenyl]propionamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC=CC(=C1)NC(=O)CCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H23N3O3S2/c1-20(2,3)23-28(25,26)15-8-6-7-14(13-15)21-18(24)11-12-19-22-16-9-4-5-10-17(16)27-19/h4-10,13,23H,11-12H2,1-3H3,(H,21,24)