N-(2-adamantylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(2-adamantylcarbamothioyl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(2-adamantylcarbamothioyl)-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-adamantylamino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(2-adamantylcarbamothioyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(2-adamantylthiocarbamoyl)-2-morpholino-5-nitro-benzamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H28N4O4S/c27-21(18-12-17(26(28)29)1-2-19(18)25-3-5-30-6-4-25)24-22(31)23-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20H,3-11H2,(H2,23,24,27,31)