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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C26H23N5O5S MolecularWeight: 517.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O5S/c1-16-6-7-18(25-27-19-4-2-3-5-23(19)36-25)14-20(16)28-26(37)29-24(32)17-8-9-21(22(15-17)31(33)34)30-10-12-35-13-11-30/h2-9,14-15H,10-13H2,1H3,(H2,28,29,32,37)