N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-(4-methylphenyl)sulfanyl-butanamide

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-4-(4-methylphenyl)sulfanyl-butanamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(p-tolylsulfanyl)butanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-[(4-methylphenyl)thio]butanamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)sulfanylbutanamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-(p-tolylthio)butyramide Formula: C18H16F2N2OS2 MolecularWeight: 378.459246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(C=C(C=C3S2)F)F

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=NC3=C(C=C(C=C3S2)F)F

InChI

InChI=1S/C18H16F2N2OS2/c1-11-4-6-13(7-5-11)24-8-2-3-16(23)21-18-22-17-14(20)9-12(19)10-15(17)25-18/h4-7,9-10H,2-3,8H2,1H3,(H,21,22,23)