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

Systemtic Name: 2-chloranyl-N-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Openeye Name: 2-chloro-N-[[3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]benzamide CAS Name: 2-chloro-N-[[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-chloro-N-[[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]benzamide Traditional Name: N-[(6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoyl]-2-chloro-benzamide Formula: C22H24ClN3OS2 MolecularWeight: 446.02846

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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=C3Cl

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C22H24ClN3OS2/c1-4-22(2,3)13-9-10-14-16(12-24)20(29-18(14)11-13)26-21(28)25-19(27)15-7-5-6-8-17(15)23/h5-8,13H,4,9-11H2,1-3H3,(H2,25,26,27,28)