N-(4-fluoranyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]butyramide Formula: C25H23FN2O2S2 MolecularWeight: 466.590723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C25H23FN2O2S2/c1-30-19-12-14-20(15-13-19)31-16-6-11-23(29)28(17-18-7-3-2-4-8-18)25-27-24-21(26)9-5-10-22(24)32-25/h2-5,7-10,12-15H,6,11,16-17H2,1H3