N-[4-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[4-(2,2-dimethylpropanoylcarbamothioylamino)-2-methyl-phenyl]benzofuran-2-carboxamide CAS Name: N-[4-[[[(2,2-dimethyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]-2-methylphenyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(2,2-dimethylpropanoylcarbamothioylamino)-2-methylphenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[2-methyl-4-(pivaloylthiocarbamoylamino)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)C(C)(C)C)NC(=O)C2=CC3=CC=CC=C3O2

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3S/c1-13-11-15(23-21(29)25-20(27)22(2,3)4)9-10-16(13)24-19(26)18-12-14-7-5-6-8-17(14)28-18/h5-12H,1-4H3,(H,24,26)(H2,23,25,27,29)