3-bromanyl-4-butoxy-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C27H27BrN4O4S MolecularWeight: 583.49668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Br

InChI

InChI=1S/C27H27BrN4O4S/c1-3-4-15-36-23-14-11-19(16-22(23)28)24(33)30-27(37)32-31-25(34)18-9-12-20(13-10-18)29-26(35)21-8-6-5-7-17(21)2/h5-14,16H,3-4,15H2,1-2H3,(H,29,35)(H,31,34)(H2,30,32,33,37)