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

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-methyl-4-nitro-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-methyl-4-nitro-benzamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-3-methyl-4-nitrobenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-3-methyl-4-nitro-benzamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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