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

Systemtic Name: 4-ethoxy-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-3-nitro-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-ethoxy-N-[[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-3-nitro-N-[[2-(p-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5S/c1-3-32-21-10-8-16(12-19(21)28(30)31)22(29)27-24(34)25-17-9-11-20-18(13-17)26-23(33-20)15-6-4-14(2)5-7-15/h4-13H,3H2,1-2H3,(H2,25,27,29,34)