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

Systemtic Name: N-[4,6-bis(fluoranyl)-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene]-4-(dibutylsulfamoyl)benzamide Openeye Name: 4-(dibutylsulfamoyl)-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide CAS Name: 4-(dibutylsulfamoyl)-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide IUPAC Name: 4-(dibutylsulfamoyl)-N-(4,6-difluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide Traditional Name: 4-(dibutylsulfamoyl)-N-(4,6-difluoro-3-propargyl-1,3-benzothiazol-2-ylidene)benzamide Formula: C25H27F2N3O3S2 MolecularWeight: 519.626986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

Isomeric SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)N=C2N(C3=C(C=C(C=C3S2)F)F)CC#C

InChI

InChI=1S/C25H27F2N3O3S2/c1-4-7-14-29(15-8-5-2)35(32,33)20-11-9-18(10-12-20)24(31)28-25-30(13-6-3)23-21(27)16-19(26)17-22(23)34-25/h3,9-12,16-17H,4-5,7-8,13-15H2,1-2H3