4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-(4-fluorophenyl)sulfonyl-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)butanamide Traditional Name: N-benzyl-4-(4-fluorophenyl)sulfonyl-N-[6-(methylthio)-1,3-benzothiazol-2-yl]butyramide Formula: C25H23FN2O3S3 MolecularWeight: 514.655123

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CC=C3)C(=O)CCCS(=O)(=O)C4=CC=C(C=C4)F

InChI

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