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

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-[(1-methylimidazol-2-yl)thio]propionamide Formula: C16H18N4OS2 MolecularWeight: 346.47032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CN1C=CN=C1SCCC(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C16H18N4OS2/c1-20-8-7-18-16(20)22-9-6-14(21)19-15-12(10-17)11-4-2-3-5-13(11)23-15/h7-8H,2-6,9H2,1H3,(H,19,21)