N-[3-[[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonylcarbamothioylamino]phenyl]furan-2-carboxamide Openeye Name: N-[3-[(5-bromo-2-isobutoxy-benzoyl)carbamothioylamino]phenyl]furan-2-carboxamide CAS Name: N-[3-[[[[[5-bromo-2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[3-[[5-bromo-2-(2-methylpropoxy)benzoyl]carbamothioylamino]phenyl]furan-2-carboxamide Traditional Name: N-[3-[(5-bromo-2-isobutoxy-benzoyl)thiocarbamoylamino]phenyl]-2-furamide Formula: C23H22BrN3O4S MolecularWeight: 516.40748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=CO3

InChI

InChI=1S/C23H22BrN3O4S/c1-14(2)13-31-19-9-8-15(24)11-18(19)21(28)27-23(32)26-17-6-3-5-16(12-17)25-22(29)20-7-4-10-30-20/h3-12,14H,13H2,1-2H3,(H,25,29)(H2,26,27,28,32)