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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

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