N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonyl-benzamide

Systemtic Name: N-[6-fluoranyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-morpholinosulfonyl-benzamide CAS Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-[6-fluoro-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-[6-fluoro-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-4-morpholinosulfonyl-benzamide Formula: C21H22FN3O4S3 MolecularWeight: 495.610483

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)F)SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H22FN3O4S3/c1-30-13-10-25-18-7-4-16(22)14-19(18)31-21(25)23-20(26)15-2-5-17(6-3-15)32(27,28)24-8-11-29-12-9-24/h2-7,14H,8-13H2,1H3