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

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

Systemtic Name:N-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-phenylsulfanyl-ethanamide
Openeye Name:N-[[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]-2-phenylsulfanyl-acetamide
CAS Name:N-[[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-2-(phenylthio)acetamide
IUPAC Name:N-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]-2-phenylsulfanylacetamide
Traditional Name:N-[(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-(phenylthio)acetamide
Formula: C23H27N3OS3
MolecularWeight: 457.67498
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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CSC3=CC=CC=C3


Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)CSC3=CC=CC=C3


InChI

InChI=1S/C23H27N3OS3/c1-4-23(2,3)15-10-11-17-18(13-24)21(30-19(17)12-15)26-22(28)25-20(27)14-29-16-8-6-5-7-9-16/h5-9,15H,4,10-12,14H2,1-3H3,(H2,25,26,27,28)


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