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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanyl-propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-phenylsulfanyl-propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(4-morpholinyl)propyl]-3-(phenylthio)propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-3-phenylsulfanylpropanamide Traditional Name: N-(4,6-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=CC(=C2C(=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN3CCOCC3)C(=O)CCSC4=CC=CC=C4)C

InChI

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