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

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(6-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=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C25H30FN3O2S2/c1-19-5-10-22-23(18-19)33-25(27-22)29(12-3-11-28-13-15-31-16-14-28)24(30)4-2-17-32-21-8-6-20(26)7-9-21/h5-10,18H,2-4,11-17H2,1H3