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

Systemtic Name: 2-[3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[3-(2-bromo-4,5-dimethoxyphenyl)-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(2-bromo-4,5-dimethoxyphenyl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(2-bromo-4,5-dimethoxy-phenyl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4S/c1-26-14-9-11(13(21)10-15(14)27-2)7-8-17(24)23-20-18(19(22)25)12-5-3-4-6-16(12)28-20/h9-10H,3-8H2,1-2H3,(H2,22,25)(H,23,24)