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

Systemtic Name: N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[(6S)-6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-2-fluoro-benzamide Formula: C21H22FN3OS2 MolecularWeight: 415.547283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C21H22FN3OS2/c1-21(2,3)12-8-9-13-15(11-23)19(28-17(13)10-12)25-20(27)24-18(26)14-6-4-5-7-16(14)22/h4-7,12H,8-10H2,1-3H3,(H2,24,25,26,27)/t12-/m0/s1