N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[2-(5-bromanyl-2-chloranyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(5-bromo-2-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-(5-bromo-2-chloro-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H19BrClN5O5S MolecularWeight: 616.87086

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)Br)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)Br)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H19BrClN5O5S/c26-15-2-4-18(27)17(12-15)24-29-19-13-16(3-6-22(19)37-24)28-25(38)30-23(33)14-1-5-20(21(11-14)32(34)35)31-7-9-36-10-8-31/h1-6,11-13H,7-10H2,(H2,28,30,33,38)