N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(diethylamino)benzamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(diethylamino)benzamide Openeye Name: 4-(diethylamino)-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(diethylamino)-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(diethylamino)-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(diethylamino)-N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H19F2N3OS MolecularWeight: 399.456866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

InChI

InChI=1S/C21H19F2N3OS/c1-4-11-26-19-17(23)12-15(22)13-18(19)28-21(26)24-20(27)14-7-9-16(10-8-14)25(5-2)6-3/h1,7-10,12-13H,5-6,11H2,2-3H3