N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]-3-nitro-benzamide Formula: C21H18N4O5S MolecularWeight: 438.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-])OC2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H18N4O5S/c1-13(30-18-10-9-14-5-2-3-6-15(14)12-18)19(26)23-24-21(31)22-20(27)16-7-4-8-17(11-16)25(28)29/h2-13H,1H3,(H,23,26)(H2,22,24,27,31)