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

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonyl-benzamide Openeye Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide CAS Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(4-morpholinylsulfonyl)benzamide IUPAC Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-morpholinosulfonyl-benzamide Formula: C21H18FN3O4S2 MolecularWeight: 459.513723

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)F

Isomeric SMILES

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C21H18FN3O4S2/c1-2-10-25-19-17(22)4-3-5-18(19)30-21(25)23-20(26)15-6-8-16(9-7-15)31(27,28)24-11-13-29-14-12-24/h1,3-9H,10-14H2