2-(4-bromanylphenoxy)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)ethanamide

Systemtic Name: 2-(4-bromanylphenoxy)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)ethanamide Openeye Name: 2-(4-bromophenoxy)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)acetamide CAS Name: 2-(4-bromophenoxy)-N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromophenoxy)-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)acetamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-2-(4-bromophenoxy)acetamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)COC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H17BrN2O2S/c22-15-7-9-16(10-8-15)26-12-19(25)24-21(27)23-18-11-6-14-5-4-13-2-1-3-17(18)20(13)14/h1-3,6-11H,4-5,12H2,(H2,23,24,25,27)