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

Systemtic Name: N-[2-methyl-4-(3-methylbutanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-(3-methylbutanoylcarbamothioylamino)phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[(3-methyl-1-oxobutyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-(3-methylbutanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(isovalerylthiocarbamoylamino)-2-methyl-phenyl]coumarilamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(=O)CC(C)C)NC(=O)C2=CC3=CC=CC=C3O2

InChI

InChI=1S/C22H23N3O3S/c1-13(2)10-20(26)25-22(29)23-16-8-9-17(14(3)11-16)24-21(27)19-12-15-6-4-5-7-18(15)28-19/h4-9,11-13H,10H2,1-3H3,(H,24,27)(H2,23,25,26,29)