N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methoxy-4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methoxy-4-(3-methylbutanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(isovalerylthiocarbamoylamino)-2-methoxy-phenyl]coumarilamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3O2)OC

InChI

InChI=1S/C22H23N3O4S/c1-13(2)10-20(26)25-22(30)23-15-8-9-16(18(12-15)28-3)24-21(27)19-11-14-6-4-5-7-17(14)29-19/h4-9,11-13H,10H2,1-3H3,(H,24,27)(H2,23,25,26,30)