N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide

Systemtic Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)ethanamide Openeye Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-(p-tolylsulfanyl)acetamide CAS Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-[(4-methylphenyl)thio]-N-[3-(4-morpholinyl)propyl]acetamide IUPAC Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfanyl-N-(3-morpholin-4-ylpropyl)acetamide Traditional Name: N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholinopropyl)-2-(p-tolylthio)acetamide Formula: C25H31N3O2S2 MolecularWeight: 469.66254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC(=C4C)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N(CCCN2CCOCC2)C3=NC4=C(S3)C=CC(=C4C)C

InChI

InChI=1S/C25H31N3O2S2/c1-18-5-8-21(9-6-18)31-17-23(29)28(12-4-11-27-13-15-30-16-14-27)25-26-24-20(3)19(2)7-10-22(24)32-25/h5-10H,4,11-17H2,1-3H3