2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(3,8-dimethyl-2-quinolyl)sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(3,8-dimethyl-2-quinolinyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3,8-dimethyl-2-quinolyl)thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=C4C=CC=C(C4=N3)C)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=C(C=C4C=CC=C(C4=N3)C)C

InChI

InChI=1S/C22H21N3O2S2/c1-4-27-16-8-9-17-18(11-16)29-22(23-17)24-19(26)12-28-21-14(3)10-15-7-5-6-13(2)20(15)25-21/h5-11H,4,12H2,1-3H3,(H,23,24,26)