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

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-butoxy-benzamide Openeye Name: 4-butoxy-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-butoxy-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-butoxy-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-butoxy-N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H18F2N2O2S MolecularWeight: 400.441626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

InChI

InChI=1S/C21H18F2N2O2S/c1-3-5-11-27-16-8-6-14(7-9-16)20(26)24-21-25(10-4-2)19-17(23)12-15(22)13-18(19)28-21/h2,6-9,12-13H,3,5,10-11H2,1H3