N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide

Systemtic Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-phenylsulfanyl-butanamide CAS Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-(phenylthio)butanamide IUPAC Name: N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanylbutanamide Traditional Name: N-(5,7-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=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4)C

InChI

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