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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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