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

Systemtic Name: 3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-(4-fluorophenyl)sulfanyl-N-(2-furylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4-fluorophenyl)thio]-N-(2-furanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4-fluorophenyl)thio]-N-(2-furfuryl)-N-(6-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=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCSC4=CC=C(C=C4)F

Isomeric SMILES

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

InChI

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