2-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H24BrN3O3S/c1-2-3-4-7-14-28-16-12-10-15(11-13-16)19(26)24-25-21(29)23-20(27)17-8-5-6-9-18(17)22/h5-6,8-13H,2-4,7,14H2,1H3,(H,24,26)(H2,23,25,27,29)