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

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanyl-butanamide Openeye Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-phenylsulfanyl-butanamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-4-(phenylthio)butanamide IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-4-phenylsulfanylbutanamide Traditional Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-4-(phenylthio)butyramide Formula: C26H33N3O3S2 MolecularWeight: 499.68852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCCSC4=CC=CC=C4

InChI

InChI=1S/C26H33N3O3S2/c1-2-32-22-11-6-12-23-25(22)27-26(34-23)29(15-8-14-28-16-18-31-19-17-28)24(30)13-7-20-33-21-9-4-3-5-10-21/h3-6,9-12H,2,7-8,13-20H2,1H3