N-[3-(2-ethoxyethyl)-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-4,6-bis(fluoranyl)-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide Openeye Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-phenylsulfanyl-butanamide CAS Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butanamide IUPAC Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-phenylsulfanylbutanamide Traditional Name: N-[3-(2-ethoxyethyl)-4,6-difluoro-1,3-benzothiazol-2-ylidene]-4-(phenylthio)butyramide Formula: C21H22F2N2O2S2 MolecularWeight: 436.538386

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2SC1=NC(=O)CCCSC3=CC=CC=C3)F)F

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2SC1=NC(=O)CCCSC3=CC=CC=C3)F)F

InChI

InChI=1S/C21H22F2N2O2S2/c1-2-27-11-10-25-20-17(23)13-15(22)14-18(20)29-21(25)24-19(26)9-6-12-28-16-7-4-3-5-8-16/h3-5,7-8,13-14H,2,6,9-12H2,1H3