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

Systemtic Name: N-(4-chloranyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Openeye Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(2-pyridylmethyl)butanamide CAS Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyridinylmethyl)butanamide IUPAC Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(pyridin-2-ylmethyl)butanamide Traditional Name: N-(4-chloro-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(2-pyridylmethyl)butyramide Formula: C23H19ClFN3OS2 MolecularWeight: 471.997863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=NC(=C1)CN(C2=NC3=C(S2)C=CC=C3Cl)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C23H19ClFN3OS2/c24-19-6-3-7-20-22(19)27-23(31-20)28(15-17-5-1-2-13-26-17)21(29)8-4-14-30-18-11-9-16(25)10-12-18/h1-3,5-7,9-13H,4,8,14-15H2