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

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-fluorophenyl)sulfanyl-N-(2-furylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-fluorophenyl)thio]-N-(2-furanylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-(2-furfuryl)-N-(4-mesyl-1,3-benzothiazol-2-yl)propionamide Formula: C22H19FN2O4S3 MolecularWeight: 490.590663

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)CCSC4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN2O4S3/c1-32(27,28)19-6-2-5-18-21(19)24-22(31-18)25(14-16-4-3-12-29-16)20(26)11-13-30-17-9-7-15(23)8-10-17/h2-10,12H,11,13-14H2,1H3