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

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methoxy-3-nitro-benzamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-4-methoxy-3-nitro-benzamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O4S/c1-28-18-10-8-14(11-17(18)24(26)27)20(25)23-21(29)22-16-9-7-13-6-5-12-3-2-4-15(16)19(12)13/h2-4,7-11H,5-6H2,1H3,(H2,22,23,25,29)