4-tert-butyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-tert-butyl-N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-tert-butyl-N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-tert-butyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-tert-butyl-N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C24H23N3OS2 MolecularWeight: 433.58892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3OS2/c1-24(2,3)17-9-7-16(8-10-17)22(28)26-18-11-12-20-21(14-18)30-23(27-20)29-15-19-6-4-5-13-25-19/h4-14H,15H2,1-3H3,(H,26,28)