N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-phenyl-acetamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS2/c1-22(2,3)15-9-10-16-17(13-23)20(28-18(16)12-15)25-21(27)24-19(26)11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3,(H2,24,25,26,27)