N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(6-chloro-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-pyridylmethyl)propionamide Formula: C22H17ClFN3OS2 MolecularWeight: 457.971283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Cl)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C22H17ClFN3OS2/c23-15-4-9-19-20(13-15)30-22(26-19)27(14-17-3-1-2-11-25-17)21(28)10-12-29-18-7-5-16(24)6-8-18/h1-9,11,13H,10,12,14H2