3-bromanyl-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-benzamide Openeye Name: 3-bromo-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-benzamide CAS Name: 3-bromo-N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxybenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-3-bromo-4-ethoxy-benzamide Formula: C22H19BrN2O2S MolecularWeight: 455.36746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)Br

InChI

InChI=1S/C22H19BrN2O2S/c1-2-27-19-11-9-15(12-17(19)23)21(26)25-22(28)24-18-10-8-14-7-6-13-4-3-5-16(18)20(13)14/h3-5,8-12H,2,6-7H2,1H3,(H2,24,25,26,28)