N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-3-propan-2-yloxy-benzamide

Systemtic Name: N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]-3-propan-2-yloxy-benzamide Openeye Name: 3-isopropoxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-propan-2-yloxybenzamide IUPAC Name: N-[[(2-nitrobenzoyl)amino]carbamothioyl]-3-propan-2-yloxybenzamide Traditional Name: 3-isopropoxy-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C18H18N4O5S MolecularWeight: 402.42432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S/c1-11(2)27-13-7-5-6-12(10-13)16(23)19-18(28)21-20-17(24)14-8-3-4-9-15(14)22(25)26/h3-11H,1-2H3,(H,20,24)(H2,19,21,23,28)