N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3-bromanyl-4-tert-butyl-benzamide

Systemtic Name: N-[[(4-benzamidophenyl)carbonylamino]carbamothioyl]-3-bromanyl-4-tert-butyl-benzamide Openeye Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-tert-butyl-benzamide CAS Name: N-[[[(4-benzamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-bromo-4-tert-butylbenzamide IUPAC Name: N-[[(4-benzamidobenzoyl)amino]carbamothioyl]-3-bromo-4-tert-butylbenzamide Traditional Name: N-[[(4-benzamidobenzoyl)amino]thiocarbamoyl]-3-bromo-4-tert-butyl-benzamide Formula: C26H25BrN4O3S MolecularWeight: 553.4707

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3)Br

InChI

InChI=1S/C26H25BrN4O3S/c1-26(2,3)20-14-11-18(15-21(20)27)23(33)29-25(35)31-30-24(34)17-9-12-19(13-10-17)28-22(32)16-7-5-4-6-8-16/h4-15H,1-3H3,(H,28,32)(H,30,34)(H2,29,31,33,35)