N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butyramide Formula: C21H23FN2O2S2 MolecularWeight: 418.547923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)F)OCC

Isomeric SMILES

CCN1C2=C(C=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)F)OCC

InChI

InChI=1S/C21H23FN2O2S2/c1-3-24-20-17(26-4-2)7-5-8-18(20)28-21(24)23-19(25)9-6-14-27-16-12-10-15(22)11-13-16/h5,7-8,10-13H,3-4,6,9,14H2,1-2H3