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

Systemtic Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[(6-tert-butyl-3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-N-(6-methyl-1,3-benzothiazol-2-yl)propionamide Formula: C25H28N4OS2 MolecularWeight: 464.64602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(CC(CC4)C(C)(C)C)C=C3C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=NC4=C(CC(CC4)C(C)(C)C)C=C3C#N

InChI

InChI=1S/C25H28N4OS2/c1-15-5-7-20-21(11-15)32-24(28-20)29-22(30)9-10-31-23-17(14-26)12-16-13-18(25(2,3)4)6-8-19(16)27-23/h5,7,11-12,18H,6,8-10,13H2,1-4H3,(H,28,29,30)