5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-2-ethoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H24BrN3O3S/c1-5-28-17-11-10-15(22)12-16(17)19(27)23-20(29)25-24-18(26)13-6-8-14(9-7-13)21(2,3)4/h6-12H,5H2,1-4H3,(H,24,26)(H2,23,25,27,29)