N-[[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide

Systemtic Name: N-[[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Openeye Name: N-[[(6S)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]benzamide CAS Name: N-[[[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[(6S)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Traditional Name: N-[[(6S)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]benzamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS2/c1-4-22(2,3)15-10-11-16-17(13-23)20(28-18(16)12-15)25-21(27)24-19(26)14-8-6-5-7-9-14/h5-9,15H,4,10-12H2,1-3H3,(H2,24,25,26,27)/t15-/m0/s1