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

Systemtic Name: 4-chloranyl-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Openeye Name: 4-chloro-N-[2-(2-pyridylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide CAS Name: 4-chloro-N-[2-(2-pyridinylmethylthio)-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 4-chloro-N-[2-(pyridin-2-ylmethylsulfanyl)-1,3-benzothiazol-6-yl]benzamide Traditional Name: 4-chloro-N-[2-(2-pyridylmethylthio)-1,3-benzothiazol-6-yl]benzamide Formula: C20H14ClN3OS2 MolecularWeight: 411.92766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=NC(=C1)CSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H14ClN3OS2/c21-14-6-4-13(5-7-14)19(25)23-15-8-9-17-18(11-15)27-20(24-17)26-12-16-3-1-2-10-22-16/h1-11H,12H2,(H,23,25)