N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylthio)propionamide Formula: C26H33N3O2S2 MolecularWeight: 483.68912

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)C

InChI

InChI=1S/C26H33N3O2S2/c1-3-21-6-4-7-23-25(21)27-26(33-23)29(14-5-13-28-15-17-31-18-16-28)24(30)12-19-32-22-10-8-20(2)9-11-22/h4,6-11H,3,5,12-19H2,1-2H3