N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H22N4O6S/c1-28-14-4-6-18(29-2)16(12-14)21-20(31)22-19(25)15-11-13(24(26)27)3-5-17(15)23-7-9-30-10-8-23/h3-6,11-12H,7-10H2,1-2H3,(H2,21,22,25,31)