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

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butyramide Formula: C25H30FN3O2S2 MolecularWeight: 487.653003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O2S2/c1-19-5-2-6-22-24(19)27-25(33-22)29(13-4-12-28-14-16-31-17-15-28)23(30)7-3-18-32-21-10-8-20(26)9-11-21/h2,5-6,8-11H,3-4,7,12-18H2,1H3