5-bromanyl-2-(3-methylbutoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[(2-nitrophenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[[(2-nitrophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(3-methylbutoxy)-N-[[(2-nitrobenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[(2-nitrobenzoyl)amino]thiocarbamoyl]benzamide Formula: C20H21BrN4O5S MolecularWeight: 509.37354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN4O5S/c1-12(2)9-10-30-17-8-7-13(21)11-15(17)18(26)22-20(31)24-23-19(27)14-5-3-4-6-16(14)25(28)29/h3-8,11-12H,9-10H2,1-2H3,(H,23,27)(H2,22,24,26,31)