2-(dimethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-nitro-benzamide

Systemtic Name: 2-(dimethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-nitro-benzamide Openeye Name: 2-(dimethylamino)-N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]-5-nitro-benzamide CAS Name: 2-(dimethylamino)-N-[[3-(4-morpholinyl)-3-thiolanyl]methyl]-5-nitrobenzamide IUPAC Name: 2-(dimethylamino)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-nitrobenzamide Traditional Name: 2-(dimethylamino)-N-[(3-morpholinotetrahydrothiophen-3-yl)methyl]-5-nitro-benzamide Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2(CCSC2)N3CCOCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NCC2(CCSC2)N3CCOCC3

InChI

InChI=1S/C18H26N4O4S/c1-20(2)16-4-3-14(22(24)25)11-15(16)17(23)19-12-18(5-10-27-13-18)21-6-8-26-9-7-21/h3-4,11H,5-10,12-13H2,1-2H3,(H,19,23)