3,4-dimethoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3,4-dimethoxy-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3,4-dimethoxy-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3,4-dimethoxy-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])OC

InChI

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