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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)OC

InChI

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