6-(2-methylbutan-2-yl)-2-[(2-methyl-3-nitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-(2-methylbutan-2-yl)-2-[(2-methyl-3-nitro-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-(1,1-dimethylpropyl)-2-[(2-methyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-(2-methylbutan-2-yl)-2-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-(2-methylbutan-2-yl)-2-[(2-methyl-3-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-amyl-2-[(2-methyl-3-nitro-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=C(C(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H27N3O4S/c1-5-22(3,4)13-9-10-15-17(11-13)30-21(18(15)19(23)26)24-20(27)14-7-6-8-16(12(14)2)25(28)29/h6-8,13H,5,9-11H2,1-4H3,(H2,23,26)(H,24,27)