N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-acetamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)SC(=N2)N(CCCN(C)C)C(=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C22H27N3OS2/c1-16-11-12-19-21(17(16)2)23-22(28-19)25(14-8-13-24(3)4)20(26)15-27-18-9-6-5-7-10-18/h5-7,9-12H,8,13-15H2,1-4H3