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

Systemtic Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O4S/c1-3-15-5-11-21-20(12-15)25-23(32-21)17-6-4-14(2)19(13-17)26-24(33)27-22(29)16-7-9-18(10-8-16)28(30)31/h4-13H,3H2,1-2H3,(H2,26,27,29,33)