N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-benzamide

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(methylthio)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4,7-dimethyl-1,3-benzothiazol-2-yl)-3-(methylthio)benzamide Formula: C22H27N3OS2 MolecularWeight: 413.59928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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