4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-fluorophenyl)sulfonyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-(4-fluorophenyl)sulfonyl-N-[4-(methylthio)-1,3-benzothiazol-2-yl]butyramide Formula: C25H23FN2O3S3 MolecularWeight: 514.655123

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H23FN2O3S3/c1-32-21-9-5-10-22-24(21)27-25(33-22)28(17-18-7-3-2-4-8-18)23(29)11-6-16-34(30,31)20-14-12-19(26)13-15-20/h2-5,7-10,12-15H,6,11,16-17H2,1H3