N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: N-[(2-methoxy-5-nitro-phenyl)carbamothioyl]-4-phenethyloxy-benzamide CAS Name: N-[(2-methoxy-5-nitroanilino)-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: N-[(2-methoxy-5-nitrophenyl)carbamothioyl]-4-phenethyloxybenzamide Traditional Name: N-[(2-methoxy-5-nitro-phenyl)thiocarbamoyl]-4-phenethyloxy-benzamide Formula: C23H21N3O5S MolecularWeight: 451.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC(=O)C2=CC=C(C=C2)OCCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5S/c1-30-21-12-9-18(26(28)29)15-20(21)24-23(32)25-22(27)17-7-10-19(11-8-17)31-14-13-16-5-3-2-4-6-16/h2-12,15H,13-14H2,1H3,(H2,24,25,27,32)