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

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide Openeye Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(1-methylimidazol-2-yl)sulfanyl-propanamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(1-methyl-2-imidazolyl)thio]propanamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide Traditional Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-[(1-methylimidazol-2-yl)thio]propionamide Formula: C20H26N4OS2 MolecularWeight: 402.57664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)SC3=NC=CN3C

Isomeric SMILES

CC(C(=O)NC1=C(C2=C(S1)CC(CC2)C(C)(C)C)C#N)SC3=NC=CN3C

InChI

InChI=1S/C20H26N4OS2/c1-12(26-19-22-8-9-24(19)5)17(25)23-18-15(11-21)14-7-6-13(20(2,3)4)10-16(14)27-18/h8-9,12-13H,6-7,10H2,1-5H3,(H,23,25)