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

Systemtic Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C26H24N4O5S MolecularWeight: 504.55756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2C)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=CC=CC(=C2C)C3=NC4=C(O3)C=C(C(=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O5S/c1-5-34-22-10-9-17(13-21(22)30(32)33)24(31)29-26(36)28-19-8-6-7-18(16(19)4)25-27-20-11-14(2)15(3)12-23(20)35-25/h6-13H,5H2,1-4H3,(H2,28,29,31,36)