5-bromanyl-2-methoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H19BrN4O5S MolecularWeight: 495.34696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN4O5S/c1-28-17-5-2-12(20)10-14(17)18(25)22-19(30)21-13-3-4-15(16(11-13)24(26)27)23-6-8-29-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,30)