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

Systemtic Name: 4-methoxy-3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C22H16N4O5S MolecularWeight: 448.45124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N4O5S/c1-30-19-9-7-14(11-17(19)26(28)29)20(27)25-22(32)23-15-8-10-18-16(12-15)24-21(31-18)13-5-3-2-4-6-13/h2-12H,1H3,(H2,23,25,27,32)