N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[(1R)-1-(1-adamantyl)ethyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[(1R)-1-(1-adamantyl)ethyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[(1R)-1-(1-adamantyl)ethyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C24H32N4O4S MolecularWeight: 472.60028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C24H32N4O4S/c1-15(24-12-16-8-17(13-24)10-18(9-16)14-24)25-23(33)26-22(29)19-2-3-20(21(11-19)28(30)31)27-4-6-32-7-5-27/h2-3,11,15-18H,4-10,12-14H2,1H3,(H2,25,26,29,33)/t15-,16?,17?,18?,24?/m1/s1