2-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(1-bromanylnaphthalen-2-yl)oxyethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(1-bromo-2-naphthyl)oxy]acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(1-bromo-2-naphthoxy)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H20BrN3O3S2 MolecularWeight: 518.4465

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=S)NC(=O)COC3=C(C4=CC=CC=C4C=C3)Br)C(=O)N

InChI

InChI=1S/C22H20BrN3O3S2/c23-19-13-6-2-1-5-12(13)9-10-15(19)29-11-17(27)25-22(30)26-21-18(20(24)28)14-7-3-4-8-16(14)31-21/h1-2,5-6,9-10H,3-4,7-8,11H2,(H2,24,28)(H2,25,26,27,30)