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

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(3-morpholinopropyl)butanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-[3-(4-morpholinyl)propyl]butanamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-(4-fluorophenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)butanamide Traditional Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-4-[(4-fluorophenyl)thio]-N-(3-morpholinopropyl)butyramide Formula: C26H32FN3O2S2 MolecularWeight: 501.679583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=C(C=C4)F

InChI

InChI=1S/C26H32FN3O2S2/c1-2-20-6-11-23-24(19-20)34-26(28-23)30(13-4-12-29-14-16-32-17-15-29)25(31)5-3-18-33-22-9-7-21(27)8-10-22/h6-11,19H,2-5,12-18H2,1H3