4-tert-butyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiocarbamoyl]benzamide Formula: C22H25N3OS2 MolecularWeight: 411.5834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCC3)C#N

InChI

InChI=1S/C22H25N3OS2/c1-22(2,3)15-11-9-14(10-12-15)19(26)24-21(27)25-20-17(13-23)16-7-5-4-6-8-18(16)28-20/h9-12H,4-8H2,1-3H3,(H2,24,25,26,27)