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

Systemtic Name: 3-bromanyl-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methoxy-benzamide Openeye Name: 3-bromo-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methoxy-benzamide CAS Name: 3-bromo-N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methoxybenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-3-bromo-4-methoxy-benzamide Formula: C21H17BrN2O2S MolecularWeight: 441.34088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)Br

InChI

InChI=1S/C21H17BrN2O2S/c1-26-18-10-8-14(11-16(18)22)20(25)24-21(27)23-17-9-7-13-6-5-12-3-2-4-15(17)19(12)13/h2-4,7-11H,5-6H2,1H3,(H2,23,24,25,27)