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

Systemtic Name: 3-(2-methylimidazol-1-yl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Openeye Name: 3-(2-methylimidazol-1-yl)-N-[2-(3-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide CAS Name: 3-(2-methyl-1-imidazolyl)-N-[2-(3-pyridinylmethylthio)-1,3-benzothiazol-6-yl]propanamide IUPAC Name: 3-(2-methylimidazol-1-yl)-N-[2-(pyridin-3-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]propanamide Traditional Name: 3-(2-methylimidazol-1-yl)-N-[2-(3-pyridylmethylthio)-1,3-benzothiazol-6-yl]propionamide Formula: C20H19N5OS2 MolecularWeight: 409.52776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

Isomeric SMILES

CC1=NC=CN1CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CN=CC=C4

InChI

InChI=1S/C20H19N5OS2/c1-14-22-8-10-25(14)9-6-19(26)23-16-4-5-17-18(11-16)28-20(24-17)27-13-15-3-2-7-21-12-15/h2-5,7-8,10-12H,6,9,13H2,1H3,(H,23,26)