2-[2-(4-bromanylphenoxy)ethanoylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-bromanylphenoxy)ethanoylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(4-bromophenoxy)-1-oxoethyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(4-bromophenoxy)acetyl]amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H25BrN2O3S MolecularWeight: 513.4466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)Br)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)COC3=CC=C(C=C3)Br)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H25BrN2O3S/c26-18-10-12-19(13-11-18)31-16-22(29)28-25-23(20-8-4-5-9-21(20)32-25)24(30)27-15-14-17-6-2-1-3-7-17/h1-3,6-7,10-13H,4-5,8-9,14-16H2,(H,27,30)(H,28,29)