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

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-(2-furylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(2-furanylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(2-furfuryl)-N-(6-mesyl-1,3-benzothiazol-2-yl)butyramide Formula: C23H21FN2O4S3 MolecularWeight: 504.617243

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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)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C23H21FN2O4S3/c1-33(28,29)19-10-11-20-21(14-19)32-23(25-20)26(15-17-4-2-12-30-17)22(27)5-3-13-31-18-8-6-16(24)7-9-18/h2,4,6-12,14H,3,5,13,15H2,1H3