N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-butanamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-N-(6-fluoro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanylbutanamide Traditional Name: N-benzyl-N-(6-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(S3)C=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CC2=CC=CC=C2)C3=NC4=C(S3)C=C(C=C4)F

InChI

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