5-bromanyl-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-(cyclohexylcarbonylamino)phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[[4-[[cyclohexyl(oxo)methyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]thiocarbamoyl]-2-furamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C20H21BrN4O4S/c21-16-11-10-15(29-16)19(28)23-20(30)25-24-18(27)13-6-8-14(9-7-13)22-17(26)12-4-2-1-3-5-12/h6-12H,1-5H2,(H,22,26)(H,24,27)(H2,23,25,28,30)