N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(2-pyridylmethyl)propanamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-pyridinylmethyl)propanamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-pyridylmethyl)propionamide Formula: C24H22FN3OS2 MolecularWeight: 451.579383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)F)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CC3=CC=CC=N3)C(=O)CCSC4=CC=C(C=C4)F)C

InChI

InChI=1S/C24H22FN3OS2/c1-16-6-11-21-23(17(16)2)27-24(31-21)28(15-19-5-3-4-13-26-19)22(29)12-14-30-20-9-7-18(25)8-10-20/h3-11,13H,12,14-15H2,1-2H3