N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide

Systemtic Name: N-(4-bromanyl-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-(4-bromo-3-methyl-1,3-benzothiazol-2-ylidene)-4-[(4-fluorophenyl)thio]butyramide Formula: C18H16BrFN2OS2 MolecularWeight: 439.364843

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC=C2Br)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CN1C2=C(C=CC=C2Br)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C18H16BrFN2OS2/c1-22-17-14(19)4-2-5-15(17)25-18(22)21-16(23)6-3-11-24-13-9-7-12(20)8-10-13/h2,4-5,7-10H,3,6,11H2,1H3