2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(3-pyridylmethylsulfamoyl)phenyl]acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(3-pyridinylmethylsulfamoyl)phenyl]acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-[4-(3-pyridylmethylsulfamoyl)phenyl]acetamide Formula: C21H18N4O3S3 MolecularWeight: 470.58762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C21H18N4O3S3/c26-20(14-29-21-25-18-5-1-2-6-19(18)30-21)24-16-7-9-17(10-8-16)31(27,28)23-13-15-4-3-11-22-12-15/h1-12,23H,13-14H2,(H,24,26)