2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)ethanamide

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)ethanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=NC4=C(C=CC=C4S3)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SCC(=O)NC3=NC4=C(C=CC=C4S3)C)C#N

InChI

InChI=1S/C21H20N4OS2/c1-12-6-7-16-14(8-12)9-15(10-22)20(23-16)27-11-18(26)24-21-25-19-13(2)4-3-5-17(19)28-21/h3-5,9,12H,6-8,11H2,1-2H3,(H,24,25,26)