4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: 4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C25H22N4O5S MolecularWeight: 490.53098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=C(O3)C=C(C=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O5S/c1-4-33-21-10-8-16(13-20(21)29(31)32)23(30)28-25(35)27-19-12-17(7-6-15(19)3)24-26-18-9-5-14(2)11-22(18)34-24/h5-13H,4H2,1-3H3,(H2,27,28,30,35)