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

Systemtic Name: 3-butoxy-N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Openeye Name: 3-butoxy-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 3-butoxy-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 3-butoxy-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 3-butoxy-N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C21H19FN2O2S MolecularWeight: 382.451163

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19FN2O2S/c1-3-5-13-26-16-9-6-8-15(14-16)20(25)23-21-24(12-4-2)19-17(22)10-7-11-18(19)27-21/h2,6-11,14H,3,5,12-13H2,1H3