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

Systemtic Name: N-[[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[(6R)-3-cyano-6-(1,1-dimethylpropyl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[(6R)-3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[(6R)-6-tert-amyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl]thiocarbamoyl]-1-naphthamide Formula: C26H27N3OS2 MolecularWeight: 461.64208

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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=CC4=CC=CC=C43

Isomeric SMILES

CCC(C)(C)[C@@H]1CCC2=C(C1)SC(=C2C#N)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H27N3OS2/c1-4-26(2,3)17-12-13-19-21(15-27)24(32-22(19)14-17)29-25(31)28-23(30)20-11-7-9-16-8-5-6-10-18(16)20/h5-11,17H,4,12-14H2,1-3H3,(H2,28,29,30,31)/t17-/m1/s1