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

Systemtic Name: N-[4-methoxy-3-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide Openeye Name: N-[4-methoxy-3-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide CAS Name: N-[4-methoxy-3-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-furancarboxamide IUPAC Name: N-[4-methoxy-3-(3-methylbutanoylcarbamothioylamino)phenyl]furan-2-carboxamide Traditional Name: N-[3-(isovalerylthiocarbamoylamino)-4-methoxy-phenyl]-2-furamide Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S/c1-11(2)9-16(22)21-18(26)20-13-10-12(6-7-14(13)24-3)19-17(23)15-5-4-8-25-15/h4-8,10-11H,9H2,1-3H3,(H,19,23)(H2,20,21,22,26)