5-bromanyl-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide

Systemtic Name: 5-bromanyl-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C27H27BrN4O4S MolecularWeight: 583.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCC(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=C(C=CC(=C3)Br)OCC(C)C

InChI

InChI=1S/C27H27BrN4O4S/c1-16(2)15-36-23-13-10-19(28)14-22(23)26(35)30-27(37)32-31-24(33)18-8-11-20(12-9-18)29-25(34)21-7-5-4-6-17(21)3/h4-14,16H,15H2,1-3H3,(H,29,34)(H,31,33)(H2,30,32,35,37)