N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C28H27N5O5S MolecularWeight: 545.60948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=C(C(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C)C

InChI

InChI=1S/C28H27N5O5S/c1-16-13-17(2)25-22(14-16)29-27(38-25)20-5-4-6-21(18(20)3)30-28(39)31-26(34)19-7-8-23(24(15-19)33(35)36)32-9-11-37-12-10-32/h4-8,13-15H,9-12H2,1-3H3,(H2,30,31,34,39)