N-[[(4-nitrophenyl)amino]carbamothioyl]-3-phenylmethoxy-benzamide

Systemtic Name: N-[[(4-nitrophenyl)amino]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[(4-nitroanilino)carbamothioyl]benzamide CAS Name: N-[[(4-nitrophenyl)hydrazo]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[(4-nitroanilino)carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[(4-nitroanilino)thiocarbamoyl]benzamide Formula: C21H18N4O4S MolecularWeight: 422.45702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)NC(=S)NNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H18N4O4S/c26-20(22-21(30)24-23-17-9-11-18(12-10-17)25(27)28)16-7-4-8-19(13-16)29-14-15-5-2-1-3-6-15/h1-13,23H,14H2,(H2,22,24,26,30)