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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(methylthio)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-methylsulfanylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-(methylthio)benzamide 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)C3=CC=CC=C3SC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC=CC=C3SC)C

InChI

InChI=1S/C22H27N3OS2/c1-15-13-16(2)20-19(14-15)28-22(23-20)25(12-8-11-24(3)4)21(26)17-9-6-7-10-18(17)27-5/h6-7,9-10,13-14H,8,11-12H2,1-5H3