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

Systemtic Name: 5-bromanyl-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Openeye Name: 5-bromo-2-isobutoxy-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-(2-methylpropoxy)benzamide IUPAC Name: 5-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-2-(2-methylpropoxy)benzamide Traditional Name: 5-bromo-2-isobutoxy-N-[[4-(o-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O3S/c1-16(2)15-33-23-13-8-18(27)14-22(23)25(32)30-26(34)29-20-11-9-19(10-12-20)28-24(31)21-7-5-4-6-17(21)3/h4-14,16H,15H2,1-3H3,(H,28,31)(H2,29,30,32,34)