2-fluoranyl-N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Openeye Name: 2-fluoro-N-[2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide CAS Name: 2-fluoro-N-[2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]benzamide IUPAC Name: 2-fluoro-N-[2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide Traditional Name: 2-fluoro-N-[2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]benzamide Formula: C21H16FN3O3S2 MolecularWeight: 441.498443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCC(=O)NCC4=CC=CO4)F

InChI

InChI=1S/C21H16FN3O3S2/c22-16-6-2-1-5-15(16)20(27)24-13-7-8-17-18(10-13)30-21(25-17)29-12-19(26)23-11-14-4-3-9-28-14/h1-10H,11-12H2,(H,23,26)(H,24,27)