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

Systemtic Name: N-[2-methyl-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Openeye Name: N-[2-methyl-4-(2-methylpropanoylcarbamothioylamino)phenyl]benzofuran-2-carboxamide CAS Name: N-[2-methyl-4-[[[(2-methyl-1-oxopropyl)amino]-sulfanylidenemethyl]amino]phenyl]-2-benzofurancarboxamide IUPAC Name: N-[2-methyl-4-(2-methylpropanoylcarbamothioylamino)phenyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(isobutyrylthiocarbamoylamino)-2-methyl-phenyl]coumarilamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-12(2)19(25)24-21(28)22-15-8-9-16(13(3)10-15)23-20(26)18-11-14-6-4-5-7-17(14)27-18/h4-12H,1-3H3,(H,23,26)(H2,22,24,25,28)