4-methoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 4-methoxy-N-[(4-morpholinophenyl)carbamothioyl]-3-nitro-benzamide CAS Name: 4-methoxy-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-[(4-morpholin-4-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 4-methoxy-N-[(4-morpholinophenyl)thiocarbamoyl]-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O5S/c1-27-17-7-2-13(12-16(17)23(25)26)18(24)21-19(29)20-14-3-5-15(6-4-14)22-8-10-28-11-9-22/h2-7,12H,8-11H2,1H3,(H2,20,21,24,29)