N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-4-morpholino-3-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=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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