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

Systemtic Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[5-(5,6-dimethyl-1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C26H24N4O6S MolecularWeight: 520.55696

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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)OC)[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)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O6S/c1-5-35-22-9-6-16(13-20(22)30(32)33)24(31)29-26(37)28-19-12-17(7-8-21(19)34-4)25-27-18-10-14(2)15(3)11-23(18)36-25/h6-13H,5H2,1-4H3,(H2,28,29,31,37)