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

Systemtic Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-morpholino-5-nitro-benzamide CAS Name: N-[(1,2-dihydroacenaphthylen-5-ylamino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(acenaphthen-5-ylthiocarbamoyl)-2-morpholino-5-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=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

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

InChI

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