3-phenyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide

Systemtic Name: 3-phenyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-phenyl-N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-phenyl-N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-phenyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-phenyl-N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C22H19N3OS2 MolecularWeight: 405.53576

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=CC=N4

InChI

InChI=1S/C22H19N3OS2/c26-21(12-9-16-6-2-1-3-7-16)24-17-10-11-19-20(14-17)28-22(25-19)27-15-18-8-4-5-13-23-18/h1-8,10-11,13-14H,9,12,15H2,(H,24,26)