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

Systemtic Name: 3-chloranyl-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-benzamide Openeye Name: 3-chloro-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-benzamide CAS Name: 3-chloro-N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxybenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-3-chloro-4-ethoxy-benzamide Formula: C22H19ClN2O2S MolecularWeight: 410.91646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19ClN2O2S/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)