N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-ethanamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanyl-acetamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(phenylthio)acetamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylsulfanylacetamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,6-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=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)CSC3=CC=CC=C3)C

InChI

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