N-[4-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]furan-2-carboxamide

Systemtic Name: N-[4-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]furan-2-carboxamide Openeye Name: N-[4-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[4-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-furancarboxamide IUPAC Name: N-[4-(2,2-dimethylpropanoylcarbamothioylamino)-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[2-methyl-4-(pivaloylthiocarbamoylamino)phenyl]-2-furamide Formula: C18H21N3O3S MolecularWeight: 359.44264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)C(C)(C)C)NC(=O)C2=CC=CO2

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)C(C)(C)C)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H21N3O3S/c1-11-10-12(19-17(25)21-16(23)18(2,3)4)7-8-13(11)20-15(22)14-6-5-9-24-14/h5-10H,1-4H3,(H,20,22)(H2,19,21,23,25)