5-bromanyl-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]-2-ethoxy-benzamide Formula: C24H27BrN4O4S MolecularWeight: 547.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C24H27BrN4O4S/c1-2-33-20-13-10-17(25)14-19(20)23(32)27-24(34)29-28-22(31)16-8-11-18(12-9-16)26-21(30)15-6-4-3-5-7-15/h8-15H,2-7H2,1H3,(H,26,30)(H,28,31)(H2,27,29,32,34)