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

Systemtic Name: 2-[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(1,6-dibromo-2-naphthoxy)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C22H19Br2N3O3S2 MolecularWeight: 597.34256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19Br2N3O3S2/c23-12-6-7-13-11(9-12)5-8-15(19(13)24)30-10-17(28)26-22(31)27-21-18(20(25)29)14-3-1-2-4-16(14)32-21/h5-9H,1-4,10H2,(H2,25,29)(H2,26,27,28,31)