2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-bromanyl-3,4,5-trimethoxy-phenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-bromo-3,4,5-trimethoxyphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[(2-bromo-3,4,5-trimethoxy-benzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H21BrN2O5S MolecularWeight: 469.34944

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Br)OC)OC

InChI

InChI=1S/C19H21BrN2O5S/c1-25-11-8-10(14(20)16(27-3)15(11)26-2)18(24)22-19-13(17(21)23)9-6-4-5-7-12(9)28-19/h8H,4-7H2,1-3H3,(H2,21,23)(H,22,24)