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

Systemtic Name: N-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]-3-(4-methylphenyl)sulfanyl-propanamide Openeye Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]propanamide IUPAC Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide Traditional Name: N-(4,6-difluoro-1,3-benzothiazol-2-yl)-3-(p-tolylthio)propionamide Formula: C17H14F2N2OS2 MolecularWeight: 364.432666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14F2N2OS2/c1-10-2-4-12(5-3-10)23-7-6-15(22)20-17-21-16-13(19)8-11(18)9-14(16)24-17/h2-5,8-9H,6-7H2,1H3,(H,20,21,22)