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

Systemtic Name: 5-bromanyl-2-hexoxy-N-[[(2-methylphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-hexoxy-N-[[(2-methylbenzoyl)amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-hexoxy-N-[[[(2-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-hexoxy-N-[[(2-methylbenzoyl)amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-hexoxy-N-[(o-toluoylamino)thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2C

InChI

InChI=1S/C22H26BrN3O3S/c1-3-4-5-8-13-29-19-12-11-16(23)14-18(19)20(27)24-22(30)26-25-21(28)17-10-7-6-9-15(17)2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,25,28)(H2,24,26,27,30)