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

Systemtic Name: 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(4,8-dimethyl-2-quinolyl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(4,8-dimethyl-2-quinolinyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(4,8-dimethyl-2-quinolyl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C22H21N3OS2 MolecularWeight: 407.55164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=CC=C4C)C(=C3)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(C=CC=C4C)C(=C3)C

InChI

InChI=1S/C22H21N3OS2/c1-13-7-8-17-18(11-13)28-22(23-17)24-19(26)9-10-27-20-12-15(3)16-6-4-5-14(2)21(16)25-20/h4-8,11-12H,9-10H2,1-3H3,(H,23,24,26)