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

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-morpholino-3-nitro-benzamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-4-morpholino-3-nitro-benzamide Formula: C24H22N4O4S MolecularWeight: 462.52088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C1CC2=CC=CC3=C(C=CC1=C23)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O4S/c29-23(17-7-9-20(21(14-17)28(30)31)27-10-12-32-13-11-27)26-24(33)25-19-8-6-16-5-4-15-2-1-3-18(19)22(15)16/h1-3,6-9,14H,4-5,10-13H2,(H2,25,26,29,33)