5-bromanyl-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[(4-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[(4-methylbenzoyl)amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[(p-toluoylamino)thiocarbamoyl]benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC(C)C

InChI

InChI=1S/C20H22BrN3O3S/c1-12(2)11-27-17-9-8-15(21)10-16(17)19(26)22-20(28)24-23-18(25)14-6-4-13(3)5-7-14/h4-10,12H,11H2,1-3H3,(H,23,25)(H2,22,24,26,28)