N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-phenylsulfanyl-propanamide CAS Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-(phenylthio)propanamide IUPAC Name: N-(6-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanylpropanamide Traditional Name: N-(6-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=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4

InChI

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