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

Systemtic Name: 3-bromanyl-N-[[(4-tert-butylphenyl)carbonylamino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Openeye Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide CAS Name: 3-bromo-N-[[[(4-tert-butylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-(2-methoxyethoxy)benzamide IUPAC Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]carbamothioyl]-4-(2-methoxyethoxy)benzamide Traditional Name: 3-bromo-N-[[(4-tert-butylbenzoyl)amino]thiocarbamoyl]-4-(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=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

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

InChI

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