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

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[(2-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[(2-methylbenzoyl)amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[(o-toluoylamino)thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC(C)C

InChI

InChI=1S/C21H24BrN3O3S/c1-13(2)10-11-28-18-9-8-15(22)12-17(18)19(26)23-21(29)25-24-20(27)16-7-5-4-6-14(16)3/h4-9,12-13H,10-11H2,1-3H3,(H,24,27)(H2,23,25,26,29)