N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanyl-propanamide

Systemtic Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-phenylsulfanyl-propanamide CAS Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-(phenylthio)propanamide IUPAC Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanylpropanamide Traditional Name: N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(phenylthio)propionamide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2S2/c1-19-17-22-23(18-20(19)2)32-25(26-22)28(11-6-10-27-12-14-30-15-13-27)24(29)9-16-31-21-7-4-3-5-8-21/h3-5,7-8,17-18H,6,9-16H2,1-2H3