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

Systemtic Name: 5-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Openeye Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide CAS Name: 5-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methoxyethoxy)benzamide IUPAC Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-2-(2-methoxyethoxy)benzamide Traditional Name: 5-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-2-(2-methoxyethoxy)benzamide Formula: C22H26BrN3O4S MolecularWeight: 508.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26BrN3O4S/c1-22(2,3)15-7-5-14(6-8-15)19(27)25-26-21(31)24-20(28)17-13-16(23)9-10-18(17)30-12-11-29-4/h5-10,13H,11-12H2,1-4H3,(H,25,27)(H2,24,26,28,31)