4-(4-fluorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butyramide Formula: C25H30FN3O3S2 MolecularWeight: 503.652403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(C=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

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