bromanylmethane; 3-methoxy-N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: bromanylmethane; 3-methoxy-N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: bromomethane; 3-methoxy-N-(2-morpholinoethyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: bromomethane; 3-methoxy-N-[2-(4-morpholinyl)ethyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: bromomethane; 3-methoxy-N-(2-morpholin-4-ylethyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: bromomethane; 3-methoxy-N-(2-morpholinoethyl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H22BrN3O5S MolecularWeight: 460.34268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NCCN3CCOCC3.CBr

Isomeric SMILES

COC1=C(SC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)NCCN3CCOCC3.CBr

InChI

InChI=1S/C16H19N3O5S.CH3Br/c1-23-14-12-10-11(19(21)22)2-3-13(12)25-15(14)16(20)17-4-5-18-6-8-24-9-7-18;1-2/h2-3,10H,4-9H2,1H3,(H,17,20);1H3