N-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[(4-fluoranylnaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide Openeye Name: N-[2-[(4-fluoro-1-naphthyl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenyl-propanamide CAS Name: N-[2-[(4-fluoro-1-naphthalenyl)methylthio]-1,3-benzothiazol-6-yl]-3-phenylpropanamide IUPAC Name: N-[2-[(4-fluoronaphthalen-1-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]-3-phenylpropanamide Traditional Name: N-[2-[(4-fluoro-1-naphthyl)methylthio]-1,3-benzothiazol-6-yl]-3-phenyl-propionamide Formula: C27H21FN2OS2 MolecularWeight: 472.596843

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C5=CC=CC=C45)F

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC3=C(C=C2)N=C(S3)SCC4=CC=C(C5=CC=CC=C45)F

InChI

InChI=1S/C27H21FN2OS2/c28-23-13-11-19(21-8-4-5-9-22(21)23)17-32-27-30-24-14-12-20(16-25(24)33-27)29-26(31)15-10-18-6-2-1-3-7-18/h1-9,11-14,16H,10,15,17H2,(H,29,31)