N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide

Systemtic Name: N-(6-bromanyl-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide Openeye Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(2-furylmethyl)propanamide CAS Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-furanylmethyl)propanamide IUPAC Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide Traditional Name: N-(6-bromo-1,3-benzothiazol-2-yl)-3-[(4-fluorophenyl)thio]-N-(2-furfuryl)propionamide Formula: C21H16BrFN2O2S2 MolecularWeight: 491.396343

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

C1=COC(=C1)CN(C2=NC3=C(S2)C=C(C=C3)Br)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C21H16BrFN2O2S2/c22-14-3-8-18-19(12-14)29-21(24-18)25(13-16-2-1-10-27-16)20(26)9-11-28-17-6-4-15(23)5-7-17/h1-8,10,12H,9,11,13H2