N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-phenylsulfanyl-butanamide CAS Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-(phenylthio)butanamide IUPAC Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanylbutanamide Traditional Name: N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(phenylthio)butyramide Formula: C26H33N3O2S2 MolecularWeight: 483.68912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O2S2/c1-20-11-12-21(2)25-24(20)27-26(33-25)29(14-7-13-28-15-17-31-18-16-28)23(30)10-6-19-32-22-8-4-3-5-9-22/h3-5,8-9,11-12H,6-7,10,13-19H2,1-2H3