2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]ethanamide Openeye Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide CAS Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]acetamide IUPAC Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide Traditional Name: 2-[(6-ethoxy-1,3-benzothiazol-2-yl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]acetamide Formula: C21H19N5O4S3 MolecularWeight: 501.60166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C21H19N5O4S3/c1-2-30-15-6-9-17-18(12-15)32-21(25-17)31-13-19(27)24-14-4-7-16(8-5-14)33(28,29)26-20-22-10-3-11-23-20/h3-12H,2,13H2,1H3,(H,24,27)(H,22,23,26)