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

Systemtic Name: 5-bromanyl-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]-2-hexoxy-benzamide Formula: C28H35BrN4O4S MolecularWeight: 603.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3CCCCC3

InChI

InChI=1S/C28H35BrN4O4S/c1-2-3-4-8-17-37-24-16-13-21(29)18-23(24)27(36)31-28(38)33-32-26(35)20-11-14-22(15-12-20)30-25(34)19-9-6-5-7-10-19/h11-16,18-19H,2-10,17H2,1H3,(H,30,34)(H,32,35)(H2,31,33,36,38)