N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide

Systemtic Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: N-(6-ethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: N-(6-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=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=C(C=C4)C

InChI

InChI=1S/C26H33N3O2S2/c1-3-21-7-10-23-24(19-21)33-26(27-23)29(13-4-12-28-14-16-31-17-15-28)25(30)11-18-32-22-8-5-20(2)6-9-22/h5-10,19H,3-4,11-18H2,1-2H3