N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide

Systemtic Name: N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide CAS Name: N-[4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide Traditional Name: N-[4-(isovalerylthiocarbamoylamino)phenyl]-2-furamide Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)NC(=O)C2=CC=CO2

InChI

InChI=1S/C17H19N3O3S/c1-11(2)10-15(21)20-17(24)19-13-7-5-12(6-8-13)18-16(22)14-4-3-9-23-14/h3-9,11H,10H2,1-2H3,(H,18,22)(H2,19,20,21,24)