2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(4,8-dimethyl-2-quinolinyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(4,8-dimethyl-2-quinolyl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H21N3O2S2 MolecularWeight: 423.55104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC

InChI

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