4-(4-fluorophenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-[6-methylsulfonyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-[3-(2-methylsulfanylethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-[6-mesyl-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]butyramide Formula: C21H23FN2O3S4 MolecularWeight: 498.677323

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Descriptors Computed from Structure

Canonical SMILES:

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CSCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN2O3S4/c1-28-13-11-24-18-10-9-17(31(2,26)27)14-19(18)30-21(24)23-20(25)4-3-12-29-16-7-5-15(22)6-8-16/h5-10,14H,3-4,11-13H2,1-2H3