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

Systemtic Name: 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(3,8-dimethyl-2-quinolyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(3,8-dimethyl-2-quinolinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-(3,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3,8-dimethyl-2-quinolyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)SCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C

InChI

InChI=1S/C21H19N3O2S2/c1-12-5-4-6-14-9-13(2)20(24-19(12)14)27-11-18(25)23-21-22-16-8-7-15(26-3)10-17(16)28-21/h4-10H,11H2,1-3H3,(H,22,23,25)