3-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide

Systemtic Name: 3-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Openeye Name: 3-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propanamide CAS Name: 3-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide IUPAC Name: 3-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)propanamide Traditional Name: 3-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)propionamide Formula: C21H28N4OS2 MolecularWeight: 416.60322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N)C)C

InChI

InChI=1S/C21H28N4OS2/c1-4-5-11-25-15(3)14(2)23-21(25)27-12-10-19(26)24-20-17(13-22)16-8-6-7-9-18(16)28-20/h4-12H2,1-3H3,(H,24,26)