N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-[4,7-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)thio]butyramide Formula: C22H25FN2O4S2 MolecularWeight: 464.573303

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC(=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

COCCN1C2=C(C=CC(=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C22H25FN2O4S2/c1-27-13-12-25-20-17(28-2)10-11-18(29-3)21(20)31-22(25)24-19(26)5-4-14-30-16-8-6-15(23)7-9-16/h6-11H,4-5,12-14H2,1-3H3