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

Systemtic Name: 6-tert-butyl-2-[(3-iodanylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[(3-iodophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-2-[(3-iodobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23IN2O2S MolecularWeight: 482.37829

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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)I

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C20H23IN2O2S/c1-20(2,3)12-7-8-14-15(10-12)26-19(16(14)17(22)24)23-18(25)11-5-4-6-13(21)9-11/h4-6,9,12H,7-8,10H2,1-3H3,(H2,22,24)(H,23,25)