3,5-dinitro-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Openeye Name: N-[(4-isopropoxyphenyl)methylcarbamothioyl]-3,5-dinitro-benzamide CAS Name: 3,5-dinitro-N-[[(4-propan-2-yloxyphenyl)methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dinitro-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide Traditional Name: N-[(4-isopropoxybenzyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H18N4O6S MolecularWeight: 418.42372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O6S/c1-11(2)28-16-5-3-12(4-6-16)10-19-18(29)20-17(23)13-7-14(21(24)25)9-15(8-13)22(26)27/h3-9,11H,10H2,1-2H3,(H2,19,20,23,29)