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

Systemtic Name: 4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[[5-(5-methoxy-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C25H22N4O6S MolecularWeight: 506.53038

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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=CC(=C4)OC)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=CC(=C4)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O6S/c1-4-34-22-9-7-15(12-20(22)29(31)32)23(30)28-25(36)27-18-11-16(6-5-14(18)2)24-26-19-13-17(33-3)8-10-21(19)35-24/h5-13H,4H2,1-3H3,(H2,27,28,30,36)