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

Systemtic Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanyl-benzamide Openeye Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanyl-benzamide CAS Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(methylthio)benzamide IUPAC Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzamide Traditional Name: N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)-3-(methylthio)benzamide Formula: C22H27N3O2S2 MolecularWeight: 429.59868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC(=CC=C3)SC

Isomeric SMILES

CCOC1=C2C(=CC=C1)SC(=N2)N(CCCN(C)C)C(=O)C3=CC(=CC=C3)SC

InChI

InChI=1S/C22H27N3O2S2/c1-5-27-18-11-7-12-19-20(18)23-22(29-19)25(14-8-13-24(2)3)21(26)16-9-6-10-17(15-16)28-4/h6-7,9-12,15H,5,8,13-14H2,1-4H3