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

Systemtic Name: 3-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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