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

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-3-nitro-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-3-nitro-benzamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-ethoxy-3-nitrobenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-4-ethoxy-3-nitro-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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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)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O4S/c1-2-29-19-11-9-15(12-18(19)25(27)28)21(26)24-22(30)23-17-10-8-14-7-6-13-4-3-5-16(17)20(13)14/h3-5,8-12H,2,6-7H2,1H3,(H2,23,24,26,30)