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

Systemtic Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C27H25N5O6S MolecularWeight: 547.5823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)OC)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C27H25N5O6S/c1-16-3-4-18(26-28-21-15-19(36-2)6-8-24(21)38-26)13-20(16)29-27(39)30-25(33)17-5-7-22(23(14-17)32(34)35)31-9-11-37-12-10-31/h3-8,13-15H,9-12H2,1-2H3,(H2,29,30,33,39)