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

Systemtic Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[(3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-methoxy-1,3-benzothiazol-2-yl)propionamide Formula: C22H22N4O2S2 MolecularWeight: 438.56568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C#N

Isomeric SMILES

CC1CCC2=C(C1)C=C(C(=N2)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC)C#N

InChI

InChI=1S/C22H22N4O2S2/c1-12-4-6-17-14(8-12)9-15(11-23)21(24-17)29-13(2)20(27)26-22-25-18-7-5-16(28-3)10-19(18)30-22/h5,7,9-10,12-13H,4,6,8H2,1-3H3,(H,25,26,27)