3-bromanyl-4-ethoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H21BrN4O5S MolecularWeight: 509.37354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H21BrN4O5S/c1-2-30-18-6-3-13(11-15(18)21)19(26)23-20(31)22-14-4-5-16(17(12-14)25(27)28)24-7-9-29-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H2,22,23,26,31)