6-tert-butyl-2-[(3,5-dinitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-tert-butyl-2-[(3,5-dinitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[(3,5-dinitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6S/c1-20(2,3)11-4-5-14-15(8-11)31-19(16(14)17(21)25)22-18(26)10-6-12(23(27)28)9-13(7-10)24(29)30/h6-7,9,11H,4-5,8H2,1-3H3,(H2,21,25)(H,22,26)