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

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

Isomeric SMILES

COC1=CC=C(C=C1)SCCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C25H30FN3O3S2/c1-31-20-6-8-21(9-7-20)33-17-2-4-24(30)29(12-3-11-28-13-15-32-16-14-28)25-27-22-10-5-19(26)18-23(22)34-25/h5-10,18H,2-4,11-17H2,1H3