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

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitro-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitro-benzamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methyl-3-nitrobenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-2-methyl-3-nitro-benzamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C21H17N3O3S/c1-12-15(5-3-7-18(12)24(26)27)20(25)23-21(28)22-17-11-10-14-9-8-13-4-2-6-16(17)19(13)14/h2-7,10-11H,8-9H2,1H3,(H2,22,23,25,28)