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

Systemtic Name: 5-bromanyl-2-chloranyl-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 5-bromo-2-chloro-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 5-bromo-2-chloro-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-chloro-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 5-bromo-2-chloro-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C18H16BrClN4O4S MolecularWeight: 499.76604

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrClN4O4S/c19-11-1-3-14(20)13(9-11)17(25)22-18(29)21-12-2-4-15(16(10-12)24(26)27)23-5-7-28-8-6-23/h1-4,9-10H,5-8H2,(H2,21,22,25,29)