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

Systemtic Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-phenylsulfanyl-propanamide CAS Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-(phenylthio)propanamide IUPAC Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanylpropanamide Traditional Name: N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(phenylthio)propionamide Formula: C25H31N3O3S2 MolecularWeight: 485.66194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O3S2/c1-2-31-21-10-6-11-22-24(21)26-25(33-22)28(14-7-13-27-15-17-30-18-16-27)23(29)12-19-32-20-8-4-3-5-9-20/h3-6,8-11H,2,7,12-19H2,1H3