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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N

InChI

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