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

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(3-morpholinopropyl)butanamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-4-[(4-methoxyphenyl)thio]-N-(3-morpholinopropyl)butyramide Formula: C25H30FN3O3S2 MolecularWeight: 503.652403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(C=CC=C4S3)F

InChI

InChI=1S/C25H30FN3O3S2/c1-31-19-8-10-20(11-9-19)33-18-3-7-23(30)29(13-4-12-28-14-16-32-17-15-28)25-27-24-21(26)5-2-6-22(24)34-25/h2,5-6,8-11H,3-4,7,12-18H2,1H3