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

Systemtic Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Openeye Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-3-(p-tolylsulfanyl)propanamide CAS Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]propanamide IUPAC Name: N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)propanamide Traditional Name: N-(4,6-dimethyl-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:

CC1=CC=C(C=C1)SCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(C=C(C=C4S3)C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)N(CCCN2CCOCC2)C3=NC4=C(C=C(C=C4S3)C)C

InChI

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