(E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]prop-2-enamide Openeye Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]prop-2-enamide Traditional Name: (E)-N-(1,3-benzothiazol-2-ylmethyl)-3-[4-(propylsulfamoyl)phenyl]acrylamide Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)C1=CC=C(C=C1)C=CC(=O)NCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCNS(=O)(=O)C1=CC=C(C=C1)/C=C/C(=O)NCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H21N3O3S2/c1-2-13-22-28(25,26)16-10-7-15(8-11-16)9-12-19(24)21-14-20-23-17-5-3-4-6-18(17)27-20/h3-12,22H,2,13-14H2,1H3,(H,21,24)/b12-9+